(3E,5Z)-N,4,8-trimethyl-N-(3-methylhexan-3-yl)-7-methylidenenona-3,5,8-trien-3-amine

C20H35N — CID 155001496

IUPAC(3E,5Z)-N,4,8-trimethyl-N-(3-methylhexan-3-yl)-7-methylidenenona-3,5,8-trien-3-amine
SMILESC=C(C)C(=C)/C=C\C(C)=C(/CC)N(C)C(C)(CC)CCC
InChIInChI=1S/C20H35N/c1-10-15-20(8,12-3)21(9)19(11-2)18(7)14-13-17(6)16(4)5/h13-14H,4,6,10-12,15H2,1-3,5,7-9H3/b14-13-,19-18+
InChIKeyDTVBFXUCYXGFQY-GNZBNVCGSA-N
MW289.51 g/mol
LogP6.26
Rot. Bonds9

About (3E,5Z)-N,4,8-trimethyl-N-(3-methylhexan-3-yl)-7-methylidenenona-3,5,8-trien-3-amine

(3E,5Z)-N,4,8-trimethyl-N-(3-methylhexan-3-yl)-7-methylidenenona-3,5,8-trien-3-amine (PubChem CID 155001496) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is (3E,5Z)-N,4,8-trimethyl-N-(3-methylhexan-3-yl)-7-methylidenenona-3,5,8-trien-3-amine.

Molecular Properties

Compound Name(3E,5Z)-N,4,8-trimethyl-N-(3-methylhexan-3-yl)-7-methylidenenona-3,5,8-trien-3-amine
PubChem CID155001496
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name(3E,5Z)-N,4,8-trimethyl-N-(3-methylhexan-3-yl)-7-methylidenenona-3,5,8-trien-3-amine
SMILESC=C(C)C(=C)/C=C\C(C)=C(/CC)N(C)C(C)(CC)CCC
InChIInChI=1S/C20H35N/c1-10-15-20(8,12-3)21(9)19(11-2)18(7)14-13-17(6)16(4)5/h13-14H,4,6,10-12,15H2,1-3,5,7-9H3/b14-13-,19-18+
InChIKeyDTVBFXUCYXGFQY-GNZBNVCGSA-N
XLogP6.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,5Z)-N,4,8-trimethyl-N-(3-methylhexan-3-yl)-7-methylidenenona-3,5,8-trien-3-amine with MolForge

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Related Compounds

(5Z,8Z,10Z)-8-(1,3-difluoroprop-1-enyl)-6-[(E)-3-fluoroprop-2-enyl]-N,N,4,5-tetramethyldodeca-5,8,10-trien-4-amine
CID 130242940
N,N-bis(2-ethylhexyl)-3-propan-2-ylidenecyclohexen-1-amine
CID 68377409
(4R)-1,4,5,5,7-pentamethyl-6-[(Z)-4-methylhept-1-enyl]-3,4-dihydro-2H-azepine
CID 71119976
7-(2,4-dimethylpentyl)-1,5,5-trimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-azepine
CID 71119988
(4R)-6-[(Z)-5,5-dimethylhex-1-enyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine
CID 71119994
(4R)-7-(2,4-dimethylpentyl)-1,4,5,5-tetramethyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-azepine
CID 71120000
(4R)-1,4,5,5,7-pentamethyl-6-[(Z)-5-methylhex-1-enyl]-3,4-dihydro-2H-azepine
CID 71120001
2-Buta-2,3-dienylidene-4-butan-2-yl-6-methyl-3-pentylidene-1-(2,3,7-trimethylocta-3,5,7-trienyl)pyridine
CID 123625130
N-hexyl-N-methyl-1-(7-methyl-9-methylidenecyclonona-2,3,5-trien-1-yl)hex-1-en-1-amine
CID 123632350
N-butyl-N,5-dipropylocta-1,4,6-trien-4-amine
CID 123943329
(3Z,5E)-5,9-ditert-butyl-1,11a-dimethyl-7,11-dihydro-2H-1-benzazonine
CID 126711773
(Z,5Z)-N-ethyl-5-ethylidene-N,3,9-trimethyldec-6-en-1-amine
CID 130371417

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N,4,8-trimethyl-N-(3-methylhexan-3-yl)-7-methylidenenona-3,5,8-trien-3-amine?
The IUPAC name of (3E,5Z)-N,4,8-trimethyl-N-(3-methylhexan-3-yl)-7-methylidenenona-3,5,8-trien-3-amine (CID 155001496) is (3E,5Z)-N,4,8-trimethyl-N-(3-methylhexan-3-yl)-7-methylidenenona-3,5,8-trien-3-amine.
What is the SMILES notation for (3E,5Z)-N,4,8-trimethyl-N-(3-methylhexan-3-yl)-7-methylidenenona-3,5,8-trien-3-amine?
The canonical SMILES for (3E,5Z)-N,4,8-trimethyl-N-(3-methylhexan-3-yl)-7-methylidenenona-3,5,8-trien-3-amine is C=C(C)C(=C)/C=C\C(C)=C(/CC)N(C)C(C)(CC)CCC.
What is the InChIKey of (3E,5Z)-N,4,8-trimethyl-N-(3-methylhexan-3-yl)-7-methylidenenona-3,5,8-trien-3-amine?
The InChIKey is DTVBFXUCYXGFQY-GNZBNVCGSA-N. The full InChI is InChI=1S/C20H35N/c1-10-15-20(8,12-3)21(9)19(11-2)18(7)14-13-17(6)16(4)5/h13-14H,4,6,10-12,15H2,1-3,5,7-9H3/b14-13-,19-18+.
What are the key properties of (3E,5Z)-N,4,8-trimethyl-N-(3-methylhexan-3-yl)-7-methylidenenona-3,5,8-trien-3-amine?
(3E,5Z)-N,4,8-trimethyl-N-(3-methylhexan-3-yl)-7-methylidenenona-3,5,8-trien-3-amine has a molecular weight of 289.51 g/mol, XLogP of 6.26, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N,4,8-trimethyl-N-(3-methylhexan-3-yl)-7-methylidenenona-3,5,8-trien-3-amine is sourced from PubChem (CID 155001496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).