4-but-3-enyl-2-methyl-4-[methyl(propan-2-yl)amino]oct-7-en-3-one;3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one;4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-oct-7-enyldodec-11-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-pent-4-enylnon-8-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-prop-2-enylhept-6-en-3-one

C116H214N6O6 — CID 158598333

IUPAC4-but-3-enyl-2-methyl-4-[methyl(propan-2-yl)amino]oct-7-en-3-one;3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one;4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-oct-7-enyldodec-11-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-pent-4-enylnon-8-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-prop-2-enylhept-6-en-3-one
SMILESC=CCC(CC=C)(C(=O)C(C)C)N(C)C(C)C.C=CCCC(CCC=C)(C(=O)C(C)C)N(C)C(C)C.C=CCCCC(CCCC=C)(C(=O)C(C)C)N(C)C(C)C.C=CCCCCC(CCCCC=C)(C(C)=O)N(C)C.C=CCCCCCC(CCCCCC=C)(C(=O)C(C)C)N(C)C(C)C.C=CCCCCCCC(CCCCCCC=C)(C(=O)C(C)C)N(C)C(C)C
InChIInChI=1S/C25H47NO.C23H43NO.C19H35NO.2C17H31NO.C15H27NO/c1-8-10-12-14-16-18-20-25(24(27)22(3)4,26(7)23(5)6)21-19-17-15-13-11-9-2;1-8-10-12-14-16-18-23(22(25)20(3)4,24(7)21(5)6)19-17-15-13-11-9-2;1-8-10-12-14-19(15-13-11-9-2,18(21)16(3)4)20(7)17(5)6;1-8-10-12-17(13-11-9-2,16(19)14(3)4)18(7)15(5)6;1-6-8-10-12-14-17(16(3)19,18(4)5)15-13-11-9-7-2;1-8-10-15(11-9-2,14(17)12(3)4)16(7)13(5)6/h8-9,22-23H,1-2,10-21H2,3-7H3;8-9,20-21H,1-2,10-19H2,3-7H3;8-9,16-17H,1-2,10-15H2,3-7H3;8-9,14-15H,1-2,10-13H2,3-7H3;6-7H,1-2,8-15H2,3-5H3;8-9,12-13H,1-2,10-11H2,3-7H3
InChIKeyHVHQYAKJVNMVOH-UHFFFAOYSA-N
MW1789.02 g/mol
LogP30.94
Rot. Bonds76

About 4-but-3-enyl-2-methyl-4-[methyl(propan-2-yl)amino]oct-7-en-3-one;3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one;4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-oct-7-enyldodec-11-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-pent-4-enylnon-8-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-prop-2-enylhept-6-en-3-one

4-but-3-enyl-2-methyl-4-[methyl(propan-2-yl)amino]oct-7-en-3-one;3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one;4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-oct-7-enyldodec-11-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-pent-4-enylnon-8-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-prop-2-enylhept-6-en-3-one (PubChem CID 158598333) has the molecular formula C116H214N6O6 and a molecular weight of 1789.02 g/mol. Its IUPAC name is 4-but-3-enyl-2-methyl-4-[methyl(propan-2-yl)amino]oct-7-en-3-one;3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one;4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-oct-7-enyldodec-11-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-pent-4-enylnon-8-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-prop-2-enylhept-6-en-3-one.

Molecular Properties

Compound Name4-but-3-enyl-2-methyl-4-[methyl(propan-2-yl)amino]oct-7-en-3-one;3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one;4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-oct-7-enyldodec-11-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-pent-4-enylnon-8-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-prop-2-enylhept-6-en-3-one
PubChem CID158598333
Molecular FormulaC116H214N6O6
Molecular Weight1789.02 g/mol
Exact Mass1787.66
IUPAC Name4-but-3-enyl-2-methyl-4-[methyl(propan-2-yl)amino]oct-7-en-3-one;3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one;4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-oct-7-enyldodec-11-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-pent-4-enylnon-8-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-prop-2-enylhept-6-en-3-one
SMILESC=CCC(CC=C)(C(=O)C(C)C)N(C)C(C)C.C=CCCC(CCC=C)(C(=O)C(C)C)N(C)C(C)C.C=CCCCC(CCCC=C)(C(=O)C(C)C)N(C)C(C)C.C=CCCCCC(CCCCC=C)(C(C)=O)N(C)C.C=CCCCCCC(CCCCCC=C)(C(=O)C(C)C)N(C)C(C)C.C=CCCCCCCC(CCCCCCC=C)(C(=O)C(C)C)N(C)C(C)C
InChIInChI=1S/C25H47NO.C23H43NO.C19H35NO.2C17H31NO.C15H27NO/c1-8-10-12-14-16-18-20-25(24(27)22(3)4,26(7)23(5)6)21-19-17-15-13-11-9-2;1-8-10-12-14-16-18-23(22(25)20(3)4,24(7)21(5)6)19-17-15-13-11-9-2;1-8-10-12-14-19(15-13-11-9-2,18(21)16(3)4)20(7)17(5)6;1-8-10-12-17(13-11-9-2,16(19)14(3)4)18(7)15(5)6;1-6-8-10-12-14-17(16(3)19,18(4)5)15-13-11-9-7-2;1-8-10-15(11-9-2,14(17)12(3)4)16(7)13(5)6/h8-9,22-23H,1-2,10-21H2,3-7H3;8-9,20-21H,1-2,10-19H2,3-7H3;8-9,16-17H,1-2,10-15H2,3-7H3;8-9,14-15H,1-2,10-13H2,3-7H3;6-7H,1-2,8-15H2,3-5H3;8-9,12-13H,1-2,10-11H2,3-7H3
InChIKeyHVHQYAKJVNMVOH-UHFFFAOYSA-N
XLogP30.94
TPSA121.86 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds76
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001789.02
LogP ≤ 530.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-but-3-enyl-2-methyl-4-[methyl(propan-2-yl)amino]oct-7-en-3-one;3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one;4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-oct-7-enyldodec-11-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-pent-4-enylnon-8-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-prop-2-enylhept-6-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one
CID 122674374
(Z)-2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-prop-2-enyldodec-6-ene-3,10-dione
CID 118300534
2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one
CID 90351471
(4S)-2,4-dimethyl-4-(propan-2-ylamino)non-8-en-3-one
CID 58307974
methyl (2S)-2-(dimethylamino)-2-methylnon-8-enoate
CID 58307948
4,4-dimethylhenicosa-1,20-diene
CID 173392641
CID 160580484
CID 160580484
5-hydroxy-2,4,4-trimethyl-5-prop-2-enyloct-7-en-3-one
CID 44720477
1-N,1-N',1-N"-triethyl-1-N,1-N',1-N"-trimethyldodec-11-ene-1,1,1-triamine
CID 172783861
oct-7-enyl 2-methylpropanoate
CID 87633860
2-bromo-2-methyltetradec-13-enoic acid
CID 87350164
(2R)-2-methyl-2-(methylamino)dec-9-enoic acid
CID 131871099

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enyl-2-methyl-4-[methyl(propan-2-yl)amino]oct-7-en-3-one;3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one;4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-oct-7-enyldodec-11-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-pent-4-enylnon-8-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-prop-2-enylhept-6-en-3-one?
The IUPAC name of 4-but-3-enyl-2-methyl-4-[methyl(propan-2-yl)amino]oct-7-en-3-one;3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one;4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-oct-7-enyldodec-11-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-pent-4-enylnon-8-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-prop-2-enylhept-6-en-3-one (CID 158598333) is 4-but-3-enyl-2-methyl-4-[methyl(propan-2-yl)amino]oct-7-en-3-one;3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one;4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-oct-7-enyldodec-11-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-pent-4-enylnon-8-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-prop-2-enylhept-6-en-3-one.
What is the SMILES notation for 4-but-3-enyl-2-methyl-4-[methyl(propan-2-yl)amino]oct-7-en-3-one;3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one;4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-oct-7-enyldodec-11-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-pent-4-enylnon-8-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-prop-2-enylhept-6-en-3-one?
The canonical SMILES for 4-but-3-enyl-2-methyl-4-[methyl(propan-2-yl)amino]oct-7-en-3-one;3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one;4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-oct-7-enyldodec-11-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-pent-4-enylnon-8-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-prop-2-enylhept-6-en-3-one is C=CCC(CC=C)(C(=O)C(C)C)N(C)C(C)C.C=CCCC(CCC=C)(C(=O)C(C)C)N(C)C(C)C.C=CCCCC(CCCC=C)(C(=O)C(C)C)N(C)C(C)C.C=CCCCCC(CCCCC=C)(C(C)=O)N(C)C.C=CCCCCCC(CCCCCC=C)(C(=O)C(C)C)N(C)C(C)C.C=CCCCCCCC(CCCCCCC=C)(C(=O)C(C)C)N(C)C(C)C.
What is the InChIKey of 4-but-3-enyl-2-methyl-4-[methyl(propan-2-yl)amino]oct-7-en-3-one;3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one;4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-oct-7-enyldodec-11-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-pent-4-enylnon-8-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-prop-2-enylhept-6-en-3-one?
The InChIKey is HVHQYAKJVNMVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47NO.C23H43NO.C19H35NO.2C17H31NO.C15H27NO/c1-8-10-12-14-16-18-20-25(24(27)22(3)4,26(7)23(5)6)21-19-17-15-13-11-9-2;1-8-10-12-14-16-18-23(22(25)20(3)4,24(7)21(5)6)19-17-15-13-11-9-2;1-8-10-12-14-19(15-13-11-9-2,18(21)16(3)4)20(7)17(5)6;1-8-10-12-17(13-11-9-2,16(19)14(3)4)18(7)15(5)6;1-6-8-10-12-14-17(16(3)19,18(4)5)15-13-11-9-7-2;1-8-10-15(11-9-2,14(17)12(3)4)16(7)13(5)6/h8-9,22-23H,1-2,10-21H2,3-7H3;8-9,20-21H,1-2,10-19H2,3-7H3;8-9,16-17H,1-2,10-15H2,3-7H3;8-9,14-15H,1-2,10-13H2,3-7H3;6-7H,1-2,8-15H2,3-5H3;8-9,12-13H,1-2,10-11H2,3-7H3.
What are the key properties of 4-but-3-enyl-2-methyl-4-[methyl(propan-2-yl)amino]oct-7-en-3-one;3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one;4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-oct-7-enyldodec-11-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-pent-4-enylnon-8-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-prop-2-enylhept-6-en-3-one?
4-but-3-enyl-2-methyl-4-[methyl(propan-2-yl)amino]oct-7-en-3-one;3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one;4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-oct-7-enyldodec-11-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-pent-4-enylnon-8-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-prop-2-enylhept-6-en-3-one has a molecular weight of 1789.02 g/mol, XLogP of 30.94, 76 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enyl-2-methyl-4-[methyl(propan-2-yl)amino]oct-7-en-3-one;3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one;4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-oct-7-enyldodec-11-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-pent-4-enylnon-8-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-prop-2-enylhept-6-en-3-one is sourced from PubChem (CID 158598333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).