1-N-[(3R)-5,5-dimethylhexan-3-yl]-1-N'-[2,2-dimethyl-5-[(1S,5R)-6-methyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]hex-5-en-3-yl]ethene-1,1-diamine;4,6-dimethyl-3-methylideneoct-1-en-2-amine;ethane;ethylcyclopropane;2-methylprop-1-ene

C53H106N4 — CID 143352449

IUPAC1-N-[(3R)-5,5-dimethylhexan-3-yl]-1-N'-[2,2-dimethyl-5-[(1S,5R)-6-methyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]hex-5-en-3-yl]ethene-1,1-diamine;4,6-dimethyl-3-methylideneoct-1-en-2-amine;ethane;ethylcyclopropane;2-methylprop-1-ene
SMILESC=C(C)C.C=C(N)C(=C)C(C)CC(C)CC.C=C(NC(CC(=C)N1C[C@@H]2C(C)[C@@H]2C1C(=C)C)C(C)(C)C)N[C@H](CC)CC(C)(C)C.CC.CC.CC.CCC1CC1
InChIInChI=1S/C27H49N3.C11H21N.C5H10.C4H8.3C2H6/c1-13-21(15-26(7,8)9)28-20(6)29-23(27(10,11)12)14-18(4)30-16-22-19(5)24(22)25(30)17(2)3;1-6-8(2)7-9(3)10(4)11(5)12;1-2-5-3-4-5;1-4(2)3;3*1-2/h19,21-25,28-29H,2,4,6,13-16H2,1,3,5,7-12H3;8-9H,4-7,12H2,1-3H3;5H,2-4H2,1H3;1H2,2-3H3;3*1-2H3/t19?,21-,22-,23?,24+,25?;;;;;;/m1....../s1
InChIKeyQSDUSDFBZBCENX-MRZXXUHOSA-N
MW799.46 g/mol
LogP15.87
Rot. Bonds16

About 1-N-[(3R)-5,5-dimethylhexan-3-yl]-1-N'-[2,2-dimethyl-5-[(1S,5R)-6-methyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]hex-5-en-3-yl]ethene-1,1-diamine;4,6-dimethyl-3-methylideneoct-1-en-2-amine;ethane;ethylcyclopropane;2-methylprop-1-ene

1-N-[(3R)-5,5-dimethylhexan-3-yl]-1-N'-[2,2-dimethyl-5-[(1S,5R)-6-methyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]hex-5-en-3-yl]ethene-1,1-diamine;4,6-dimethyl-3-methylideneoct-1-en-2-amine;ethane;ethylcyclopropane;2-methylprop-1-ene (PubChem CID 143352449) has the molecular formula C53H106N4 and a molecular weight of 799.46 g/mol. Its IUPAC name is 1-N-[(3R)-5,5-dimethylhexan-3-yl]-1-N'-[2,2-dimethyl-5-[(1S,5R)-6-methyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]hex-5-en-3-yl]ethene-1,1-diamine;4,6-dimethyl-3-methylideneoct-1-en-2-amine;ethane;ethylcyclopropane;2-methylprop-1-ene.

Molecular Properties

Compound Name1-N-[(3R)-5,5-dimethylhexan-3-yl]-1-N'-[2,2-dimethyl-5-[(1S,5R)-6-methyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]hex-5-en-3-yl]ethene-1,1-diamine;4,6-dimethyl-3-methylideneoct-1-en-2-amine;ethane;ethylcyclopropane;2-methylprop-1-ene
PubChem CID143352449
Molecular FormulaC53H106N4
Molecular Weight799.46 g/mol
Exact Mass798.84
IUPAC Name1-N-[(3R)-5,5-dimethylhexan-3-yl]-1-N'-[2,2-dimethyl-5-[(1S,5R)-6-methyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]hex-5-en-3-yl]ethene-1,1-diamine;4,6-dimethyl-3-methylideneoct-1-en-2-amine;ethane;ethylcyclopropane;2-methylprop-1-ene
SMILESC=C(C)C.C=C(N)C(=C)C(C)CC(C)CC.C=C(NC(CC(=C)N1C[C@@H]2C(C)[C@@H]2C1C(=C)C)C(C)(C)C)N[C@H](CC)CC(C)(C)C.CC.CC.CC.CCC1CC1
InChIInChI=1S/C27H49N3.C11H21N.C5H10.C4H8.3C2H6/c1-13-21(15-26(7,8)9)28-20(6)29-23(27(10,11)12)14-18(4)30-16-22-19(5)24(22)25(30)17(2)3;1-6-8(2)7-9(3)10(4)11(5)12;1-2-5-3-4-5;1-4(2)3;3*1-2/h19,21-25,28-29H,2,4,6,13-16H2,1,3,5,7-12H3;8-9H,4-7,12H2,1-3H3;5H,2-4H2,1H3;1H2,2-3H3;3*1-2H3/t19?,21-,22-,23?,24+,25?;;;;;;/m1....../s1
InChIKeyQSDUSDFBZBCENX-MRZXXUHOSA-N
XLogP15.87
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.46
LogP ≤ 515.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-N-[(3R)-5,5-dimethylhexan-3-yl]-1-N'-[2,2-dimethyl-5-[(1S,5R)-6-methyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]hex-5-en-3-yl]ethene-1,1-diamine;4,6-dimethyl-3-methylideneoct-1-en-2-amine;ethane;ethylcyclopropane;2-methylprop-1-ene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3R)-5,5-dimethylhexan-3-yl]-1-N'-[2,2-dimethyl-5-[(1S,5R)-6-methyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]hex-5-en-3-yl]ethene-1,1-diamine;4,6-dimethyl-3-methylideneoct-1-en-2-amine;ethane;ethylcyclopropane;2-methylprop-1-ene?
The IUPAC name of 1-N-[(3R)-5,5-dimethylhexan-3-yl]-1-N'-[2,2-dimethyl-5-[(1S,5R)-6-methyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]hex-5-en-3-yl]ethene-1,1-diamine;4,6-dimethyl-3-methylideneoct-1-en-2-amine;ethane;ethylcyclopropane;2-methylprop-1-ene (CID 143352449) is 1-N-[(3R)-5,5-dimethylhexan-3-yl]-1-N'-[2,2-dimethyl-5-[(1S,5R)-6-methyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]hex-5-en-3-yl]ethene-1,1-diamine;4,6-dimethyl-3-methylideneoct-1-en-2-amine;ethane;ethylcyclopropane;2-methylprop-1-ene.
What is the SMILES notation for 1-N-[(3R)-5,5-dimethylhexan-3-yl]-1-N'-[2,2-dimethyl-5-[(1S,5R)-6-methyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]hex-5-en-3-yl]ethene-1,1-diamine;4,6-dimethyl-3-methylideneoct-1-en-2-amine;ethane;ethylcyclopropane;2-methylprop-1-ene?
The canonical SMILES for 1-N-[(3R)-5,5-dimethylhexan-3-yl]-1-N'-[2,2-dimethyl-5-[(1S,5R)-6-methyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]hex-5-en-3-yl]ethene-1,1-diamine;4,6-dimethyl-3-methylideneoct-1-en-2-amine;ethane;ethylcyclopropane;2-methylprop-1-ene is C=C(C)C.C=C(N)C(=C)C(C)CC(C)CC.C=C(NC(CC(=C)N1C[C@@H]2C(C)[C@@H]2C1C(=C)C)C(C)(C)C)N[C@H](CC)CC(C)(C)C.CC.CC.CC.CCC1CC1.
What is the InChIKey of 1-N-[(3R)-5,5-dimethylhexan-3-yl]-1-N'-[2,2-dimethyl-5-[(1S,5R)-6-methyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]hex-5-en-3-yl]ethene-1,1-diamine;4,6-dimethyl-3-methylideneoct-1-en-2-amine;ethane;ethylcyclopropane;2-methylprop-1-ene?
The InChIKey is QSDUSDFBZBCENX-MRZXXUHOSA-N. The full InChI is InChI=1S/C27H49N3.C11H21N.C5H10.C4H8.3C2H6/c1-13-21(15-26(7,8)9)28-20(6)29-23(27(10,11)12)14-18(4)30-16-22-19(5)24(22)25(30)17(2)3;1-6-8(2)7-9(3)10(4)11(5)12;1-2-5-3-4-5;1-4(2)3;3*1-2/h19,21-25,28-29H,2,4,6,13-16H2,1,3,5,7-12H3;8-9H,4-7,12H2,1-3H3;5H,2-4H2,1H3;1H2,2-3H3;3*1-2H3/t19?,21-,22-,23?,24+,25?;;;;;;/m1....../s1.
What are the key properties of 1-N-[(3R)-5,5-dimethylhexan-3-yl]-1-N'-[2,2-dimethyl-5-[(1S,5R)-6-methyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]hex-5-en-3-yl]ethene-1,1-diamine;4,6-dimethyl-3-methylideneoct-1-en-2-amine;ethane;ethylcyclopropane;2-methylprop-1-ene?
1-N-[(3R)-5,5-dimethylhexan-3-yl]-1-N'-[2,2-dimethyl-5-[(1S,5R)-6-methyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]hex-5-en-3-yl]ethene-1,1-diamine;4,6-dimethyl-3-methylideneoct-1-en-2-amine;ethane;ethylcyclopropane;2-methylprop-1-ene has a molecular weight of 799.46 g/mol, XLogP of 15.87, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3R)-5,5-dimethylhexan-3-yl]-1-N'-[2,2-dimethyl-5-[(1S,5R)-6-methyl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]hex-5-en-3-yl]ethene-1,1-diamine;4,6-dimethyl-3-methylideneoct-1-en-2-amine;ethane;ethylcyclopropane;2-methylprop-1-ene is sourced from PubChem (CID 143352449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).