ethane;(3E,5Z)-N,3,6-trimethyl-2-(3-methylhexan-3-yl)octa-3,5,7-trien-1-amine

C20H39N — CID 143719601

IUPACethane;(3E,5Z)-N,3,6-trimethyl-2-(3-methylhexan-3-yl)octa-3,5,7-trien-1-amine
SMILESC=C/C(C)=C\C=C(/C)C(CNC)C(C)(CC)CCC.CC
InChIInChI=1S/C18H33N.C2H6/c1-8-13-18(6,10-3)17(14-19-7)16(5)12-11-15(4)9-2;1-2/h9,11-12,17,19H,2,8,10,13-14H2,1,3-7H3;1-2H3/b15-11-,16-12+;
InChIKeyJHRSCWIIMNFRMD-GVWAAWDCSA-N
MW293.54 g/mol
LogP6.14
Rot. Bonds9

About ethane;(3E,5Z)-N,3,6-trimethyl-2-(3-methylhexan-3-yl)octa-3,5,7-trien-1-amine

ethane;(3E,5Z)-N,3,6-trimethyl-2-(3-methylhexan-3-yl)octa-3,5,7-trien-1-amine (PubChem CID 143719601) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is ethane;(3E,5Z)-N,3,6-trimethyl-2-(3-methylhexan-3-yl)octa-3,5,7-trien-1-amine.

Molecular Properties

Compound Nameethane;(3E,5Z)-N,3,6-trimethyl-2-(3-methylhexan-3-yl)octa-3,5,7-trien-1-amine
PubChem CID143719601
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC Nameethane;(3E,5Z)-N,3,6-trimethyl-2-(3-methylhexan-3-yl)octa-3,5,7-trien-1-amine
SMILESC=C/C(C)=C\C=C(/C)C(CNC)C(C)(CC)CCC.CC
InChIInChI=1S/C18H33N.C2H6/c1-8-13-18(6,10-3)17(14-19-7)16(5)12-11-15(4)9-2;1-2/h9,11-12,17,19H,2,8,10,13-14H2,1,3-7H3;1-2H3/b15-11-,16-12+;
InChIKeyJHRSCWIIMNFRMD-GVWAAWDCSA-N
XLogP6.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(3E,5Z)-N,3,6-trimethyl-2-(3-methylhexan-3-yl)octa-3,5,7-trien-1-amine 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

[(2,6-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
CID 130645649
14-fluoro-12-(fluoromethyl)-N,11,11-trimethyl-2-propyltetradeca-4,9-dien-1-amine
CID 123484686
N-[[4-[4-(2-fluoro-2,3,5,5-tetramethylhexan-3-yl)cyclohexa-2,4-dien-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]methyl]propan-1-amine
CID 123592441
(6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine
CID 130242904
7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine
CID 130243324
(2E,4Z)-7-[[3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-4-methyl-1-[2-(methylamino)ethyl]cyclohex-3-en-1-yl]methyl]-N,2,6-trimethyl-3-(2-methylpropyl)octa-2,4,7-trien-1-amine
CID 130370887
(4R)-4-[(1E,3E,6Z)-4-fluorocycloocta-1,3,6-trien-1-yl]-N-methylhexan-1-amine
CID 134365657
(6Z)-3-(2-cyclopentylethyl)-N-ethenyl-7-ethyl-4-(fluoromethyl)-4-methylnona-6,8-dien-1-amine
CID 155015797
2-(5-ethyl-4-fluorocyclohexa-2,4-dien-1-yl)-N-methylethanamine
CID 166812270
(3E,5E)-N-(3-cyclohexylpropyl)-3-ethenyl-5-fluoro-2-methylhepta-3,5-dien-1-amine
CID 172235507
(6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-6,8-dien-1-amine
CID 446717
(3R,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-6,8-dien-1-amine
CID 447470

Frequently Asked Questions

What is the IUPAC name of ethane;(3E,5Z)-N,3,6-trimethyl-2-(3-methylhexan-3-yl)octa-3,5,7-trien-1-amine?
The IUPAC name of ethane;(3E,5Z)-N,3,6-trimethyl-2-(3-methylhexan-3-yl)octa-3,5,7-trien-1-amine (CID 143719601) is ethane;(3E,5Z)-N,3,6-trimethyl-2-(3-methylhexan-3-yl)octa-3,5,7-trien-1-amine.
What is the SMILES notation for ethane;(3E,5Z)-N,3,6-trimethyl-2-(3-methylhexan-3-yl)octa-3,5,7-trien-1-amine?
The canonical SMILES for ethane;(3E,5Z)-N,3,6-trimethyl-2-(3-methylhexan-3-yl)octa-3,5,7-trien-1-amine is C=C/C(C)=C\C=C(/C)C(CNC)C(C)(CC)CCC.CC.
What is the InChIKey of ethane;(3E,5Z)-N,3,6-trimethyl-2-(3-methylhexan-3-yl)octa-3,5,7-trien-1-amine?
The InChIKey is JHRSCWIIMNFRMD-GVWAAWDCSA-N. The full InChI is InChI=1S/C18H33N.C2H6/c1-8-13-18(6,10-3)17(14-19-7)16(5)12-11-15(4)9-2;1-2/h9,11-12,17,19H,2,8,10,13-14H2,1,3-7H3;1-2H3/b15-11-,16-12+;.
What are the key properties of ethane;(3E,5Z)-N,3,6-trimethyl-2-(3-methylhexan-3-yl)octa-3,5,7-trien-1-amine?
ethane;(3E,5Z)-N,3,6-trimethyl-2-(3-methylhexan-3-yl)octa-3,5,7-trien-1-amine has a molecular weight of 293.54 g/mol, XLogP of 6.14, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,5Z)-N,3,6-trimethyl-2-(3-methylhexan-3-yl)octa-3,5,7-trien-1-amine is sourced from PubChem (CID 143719601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).