4-(cyclobutylmethyl)-3-methylidenehex-1-en-2-amine;N,3-dimethylbut-1-en-2-amine;N-[[(1S,3R)-2,2-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropyl]methyl]-N,4,4-trimethyl-3-[1-(2,3,3-trimethylbutylamino)ethenylamino]pentanamide;ethane

C48H93N5O — CID 143362551

IUPAC4-(cyclobutylmethyl)-3-methylidenehex-1-en-2-amine;N,3-dimethylbut-1-en-2-amine;N-[[(1S,3R)-2,2-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropyl]methyl]-N,4,4-trimethyl-3-[1-(2,3,3-trimethylbutylamino)ethenylamino]pentanamide;ethane
SMILESC=C(N)C(=C)C(CC)CC1CCC1.C=C(NC)C(C)C.C=C(NCC(C)C(C)(C)C)NC(CC(=O)N(C)C[C@H]1[C@@H](C(C)C(=C)C)C1(C)C)C(C)(C)C.CC
InChIInChI=1S/C28H53N3O.C12H21N.C6H13N.C2H6/c1-18(2)20(4)25-22(28(25,12)13)17-31(14)24(32)15-23(27(9,10)11)30-21(5)29-16-19(3)26(6,7)8;1-4-12(9(2)10(3)13)8-11-6-5-7-11;1-5(2)6(3)7-4;1-2/h19-20,22-23,25,29-30H,1,5,15-17H2,2-4,6-14H3;11-12H,2-8,13H2,1H3;5,7H,3H2,1-2,4H3;1-2H3/t19?,20?,22-,23?,25+;;;/m0.../s1
InChIKeyFOTGTOVDFVWBRE-QTIBQYNHSA-N
MW756.31 g/mol
LogP11.70
Rot. Bonds18

About 4-(cyclobutylmethyl)-3-methylidenehex-1-en-2-amine;N,3-dimethylbut-1-en-2-amine;N-[[(1S,3R)-2,2-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropyl]methyl]-N,4,4-trimethyl-3-[1-(2,3,3-trimethylbutylamino)ethenylamino]pentanamide;ethane

4-(cyclobutylmethyl)-3-methylidenehex-1-en-2-amine;N,3-dimethylbut-1-en-2-amine;N-[[(1S,3R)-2,2-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropyl]methyl]-N,4,4-trimethyl-3-[1-(2,3,3-trimethylbutylamino)ethenylamino]pentanamide;ethane (PubChem CID 143362551) has the molecular formula C48H93N5O and a molecular weight of 756.31 g/mol. Its IUPAC name is 4-(cyclobutylmethyl)-3-methylidenehex-1-en-2-amine;N,3-dimethylbut-1-en-2-amine;N-[[(1S,3R)-2,2-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropyl]methyl]-N,4,4-trimethyl-3-[1-(2,3,3-trimethylbutylamino)ethenylamino]pentanamide;ethane.

Molecular Properties

Compound Name4-(cyclobutylmethyl)-3-methylidenehex-1-en-2-amine;N,3-dimethylbut-1-en-2-amine;N-[[(1S,3R)-2,2-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropyl]methyl]-N,4,4-trimethyl-3-[1-(2,3,3-trimethylbutylamino)ethenylamino]pentanamide;ethane
PubChem CID143362551
Molecular FormulaC48H93N5O
Molecular Weight756.31 g/mol
Exact Mass755.74
IUPAC Name4-(cyclobutylmethyl)-3-methylidenehex-1-en-2-amine;N,3-dimethylbut-1-en-2-amine;N-[[(1S,3R)-2,2-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropyl]methyl]-N,4,4-trimethyl-3-[1-(2,3,3-trimethylbutylamino)ethenylamino]pentanamide;ethane
SMILESC=C(N)C(=C)C(CC)CC1CCC1.C=C(NC)C(C)C.C=C(NCC(C)C(C)(C)C)NC(CC(=O)N(C)C[C@H]1[C@@H](C(C)C(=C)C)C1(C)C)C(C)(C)C.CC
InChIInChI=1S/C28H53N3O.C12H21N.C6H13N.C2H6/c1-18(2)20(4)25-22(28(25,12)13)17-31(14)24(32)15-23(27(9,10)11)30-21(5)29-16-19(3)26(6,7)8;1-4-12(9(2)10(3)13)8-11-6-5-7-11;1-5(2)6(3)7-4;1-2/h19-20,22-23,25,29-30H,1,5,15-17H2,2-4,6-14H3;11-12H,2-8,13H2,1H3;5,7H,3H2,1-2,4H3;1-2H3/t19?,20?,22-,23?,25+;;;/m0.../s1
InChIKeyFOTGTOVDFVWBRE-QTIBQYNHSA-N
XLogP11.70
TPSA82.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.31
LogP ≤ 511.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(cyclobutylmethyl)-3-methylidenehex-1-en-2-amine;N,3-dimethylbut-1-en-2-amine;N-[[(1S,3R)-2,2-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropyl]methyl]-N,4,4-trimethyl-3-[1-(2,3,3-trimethylbutylamino)ethenylamino]pentanamide;ethane 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

N-[5-[(1-cyclobutyl-3,4-dioxobutan-2-yl)amino]-4-methylhex-5-enyl]-N,4,4-trimethyl-3-(methylcarbamoylamino)pentanamide
CID 143359670
2-N-[[(1S,3R)-2,2-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropyl]methyl]-2-N-methyl-1-(1-methylcyclohexyl)-1-N-[1-(3-methylheptan-4-ylamino)ethenyl]prop-2-ene-1,2-diamine;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane;ethane;methane
CID 143352518
(1R,5S)-N-(4-amino-1-cyclobutyl-3-oxopent-4-en-2-yl)-3-[2-[1-[[6-(dimethylamino)-2,2-dimethyl-6-oxohexan-3-yl]amino]ethenylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 143354952
2,2-dimethylheptan-1-amine;3-[(1S)-2,2-dimethyl-3-[(prop-1-en-2-ylamino)methyl]cyclopropyl]butan-2-one;ethane;3-methylbuta-1,3-dien-2-amine;2-methyl-N-prop-1-en-2-ylhexan-3-amine;propane;propylcyclobutane
CID 143362563
2,4-dimethylpent-1-ene;ethenamine;3-methylbut-3-en-2-ylcyclohexane;methylcyclobutane;4-methyl-3-methylidene-5-(2,2,3-trimethylcyclopropyl)hex-1-en-2-amine;propane
CID 142110052
3-amino-4-cyclobutyl-2-oxobutanamide;3-amino-1-[(1R,5S)-6,6-dimethyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcycloheptyl)propan-1-one;N-(2,2-dimethylpentan-3-yl)acetamide;ethane
CID 143360890
2-(3-aminocyclohexyl)-N-(2,3,3-trimethylbutyl)acetamide
CID 83146431
3-amino-4-cyclobutyl-2-oxobutanamide;1-[6-[(1S,3R)-2,2-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropyl]-2,2-dimethyl-4-oxohexan-3-yl]-3-[1-(1-phenylethenoxymethyl)cyclohexyl]urea
CID 143105202
4-[[1-[(1R,5S)-2-[1-[(1-cyclobutyl-3-methylidene-4-oxopentan-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-ethyl-1-oxoheptan-2-yl]carbamoylamino]-5,5-dimethyl-N-propan-2-ylhexanamide;methanamine
CID 143315115
2-(cyclobutylmethyl)-N-methylhexanamide
CID 89102892
5-cyclopropyl-4-methyl-3-methylidenepent-1-en-2-amine;6-(3-ethyl-2,2-dimethylcyclopropyl)-2,2,5-trimethyl-4,7-dimethylidene-N-prop-1-en-2-ylnon-8-en-3-amine;4-methylidenehexylcyclopentane
CID 143358126
1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea
CID 115629659

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethyl)-3-methylidenehex-1-en-2-amine;N,3-dimethylbut-1-en-2-amine;N-[[(1S,3R)-2,2-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropyl]methyl]-N,4,4-trimethyl-3-[1-(2,3,3-trimethylbutylamino)ethenylamino]pentanamide;ethane?
The IUPAC name of 4-(cyclobutylmethyl)-3-methylidenehex-1-en-2-amine;N,3-dimethylbut-1-en-2-amine;N-[[(1S,3R)-2,2-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropyl]methyl]-N,4,4-trimethyl-3-[1-(2,3,3-trimethylbutylamino)ethenylamino]pentanamide;ethane (CID 143362551) is 4-(cyclobutylmethyl)-3-methylidenehex-1-en-2-amine;N,3-dimethylbut-1-en-2-amine;N-[[(1S,3R)-2,2-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropyl]methyl]-N,4,4-trimethyl-3-[1-(2,3,3-trimethylbutylamino)ethenylamino]pentanamide;ethane.
What is the SMILES notation for 4-(cyclobutylmethyl)-3-methylidenehex-1-en-2-amine;N,3-dimethylbut-1-en-2-amine;N-[[(1S,3R)-2,2-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropyl]methyl]-N,4,4-trimethyl-3-[1-(2,3,3-trimethylbutylamino)ethenylamino]pentanamide;ethane?
The canonical SMILES for 4-(cyclobutylmethyl)-3-methylidenehex-1-en-2-amine;N,3-dimethylbut-1-en-2-amine;N-[[(1S,3R)-2,2-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropyl]methyl]-N,4,4-trimethyl-3-[1-(2,3,3-trimethylbutylamino)ethenylamino]pentanamide;ethane is C=C(N)C(=C)C(CC)CC1CCC1.C=C(NC)C(C)C.C=C(NCC(C)C(C)(C)C)NC(CC(=O)N(C)C[C@H]1[C@@H](C(C)C(=C)C)C1(C)C)C(C)(C)C.CC.
What is the InChIKey of 4-(cyclobutylmethyl)-3-methylidenehex-1-en-2-amine;N,3-dimethylbut-1-en-2-amine;N-[[(1S,3R)-2,2-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropyl]methyl]-N,4,4-trimethyl-3-[1-(2,3,3-trimethylbutylamino)ethenylamino]pentanamide;ethane?
The InChIKey is FOTGTOVDFVWBRE-QTIBQYNHSA-N. The full InChI is InChI=1S/C28H53N3O.C12H21N.C6H13N.C2H6/c1-18(2)20(4)25-22(28(25,12)13)17-31(14)24(32)15-23(27(9,10)11)30-21(5)29-16-19(3)26(6,7)8;1-4-12(9(2)10(3)13)8-11-6-5-7-11;1-5(2)6(3)7-4;1-2/h19-20,22-23,25,29-30H,1,5,15-17H2,2-4,6-14H3;11-12H,2-8,13H2,1H3;5,7H,3H2,1-2,4H3;1-2H3/t19?,20?,22-,23?,25+;;;/m0.../s1.
What are the key properties of 4-(cyclobutylmethyl)-3-methylidenehex-1-en-2-amine;N,3-dimethylbut-1-en-2-amine;N-[[(1S,3R)-2,2-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropyl]methyl]-N,4,4-trimethyl-3-[1-(2,3,3-trimethylbutylamino)ethenylamino]pentanamide;ethane?
4-(cyclobutylmethyl)-3-methylidenehex-1-en-2-amine;N,3-dimethylbut-1-en-2-amine;N-[[(1S,3R)-2,2-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropyl]methyl]-N,4,4-trimethyl-3-[1-(2,3,3-trimethylbutylamino)ethenylamino]pentanamide;ethane has a molecular weight of 756.31 g/mol, XLogP of 11.70, 18 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethyl)-3-methylidenehex-1-en-2-amine;N,3-dimethylbut-1-en-2-amine;N-[[(1S,3R)-2,2-dimethyl-3-(3-methylbut-3-en-2-yl)cyclopropyl]methyl]-N,4,4-trimethyl-3-[1-(2,3,3-trimethylbutylamino)ethenylamino]pentanamide;ethane is sourced from PubChem (CID 143362551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).