(Z,2E)-N-(3-ethylpent-1-en-2-yl)-N-methyl-2-propylidenehex-3-en-1-amine

C17H31N — CID 130383472

IUPAC(Z,2E)-N-(3-ethylpent-1-en-2-yl)-N-methyl-2-propylidenehex-3-en-1-amine
SMILESC=C(C(CC)CC)N(C)CC(/C=C\CC)=C/CC
InChIInChI=1S/C17H31N/c1-7-11-13-16(12-8-2)14-18(6)15(5)17(9-3)10-4/h11-13,17H,5,7-10,14H2,1-4,6H3/b13-11-,16-12+
InChIKeyWGZLHHQBFKLRIA-FFKGAHPDSA-N
MW249.44 g/mol
LogP5.17
Rot. Bonds9

About (Z,2E)-N-(3-ethylpent-1-en-2-yl)-N-methyl-2-propylidenehex-3-en-1-amine

(Z,2E)-N-(3-ethylpent-1-en-2-yl)-N-methyl-2-propylidenehex-3-en-1-amine (PubChem CID 130383472) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is (Z,2E)-N-(3-ethylpent-1-en-2-yl)-N-methyl-2-propylidenehex-3-en-1-amine.

Molecular Properties

Compound Name(Z,2E)-N-(3-ethylpent-1-en-2-yl)-N-methyl-2-propylidenehex-3-en-1-amine
PubChem CID130383472
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name(Z,2E)-N-(3-ethylpent-1-en-2-yl)-N-methyl-2-propylidenehex-3-en-1-amine
SMILESC=C(C(CC)CC)N(C)CC(/C=C\CC)=C/CC
InChIInChI=1S/C17H31N/c1-7-11-13-16(12-8-2)14-18(6)15(5)17(9-3)10-4/h11-13,17H,5,7-10,14H2,1-4,6H3/b13-11-,16-12+
InChIKeyWGZLHHQBFKLRIA-FFKGAHPDSA-N
XLogP5.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine
CID 129156390
(3Z)-3-ethyl-N-[(2E,4Z)-5-[(E)-3-fluorobut-2-en-2-yl]nona-2,4-dienyl]-N,4,5-trimethyldeca-1,3-dien-2-amine
CID 130243094
6-fluoro-1,2-dimethyl-3-[(E)-prop-1-enyl]-3a,7a-dihydroindole
CID 143750107
(4E,6Z)-N,3-diethyl-1-fluoro-9-methyl-4-(methylideneamino)-N-propyldeca-4,6,9-trien-5-amine
CID 146290182
(6Z)-N-(3-fluoro-2,2-dimethylpropyl)-N-methyl-6-propan-2-ylocta-1,4,6-trien-2-amine
CID 155197707
N-[1-(4-ethyl-5-methylcyclohepta-1,3,6-trien-1-yl)ethenyl]-2-fluoro-N,2-dimethylpentan-3-amine
CID 156543753
(1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine
CID 163475037
N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]-N,3,4-trimethylpenta-1,4-dien-2-amine
CID 166651269
(3Z)-N-ethyl-3-[(E)-2-(4-fluorocyclohex-3-en-1-yl)prop-1-enyl]-4-methyl-N-propylhexa-1,3-dien-2-amine
CID 166689100
4-ethyl-1-[(2E,4E,6E)-5-fluoronona-2,4,6-trien-2-yl]-5-propan-2-yl-3,6-dihydro-2H-pyridine
CID 167215678
N-[(E)-6-ethenyloct-6-en-3-yl]-6-fluoro-N,4-dimethylcyclohexa-1,5-dien-1-amine
CID 173842377
1-Methyl-2-s-butylpyridine
CID 129819649

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-N-(3-ethylpent-1-en-2-yl)-N-methyl-2-propylidenehex-3-en-1-amine?
The IUPAC name of (Z,2E)-N-(3-ethylpent-1-en-2-yl)-N-methyl-2-propylidenehex-3-en-1-amine (CID 130383472) is (Z,2E)-N-(3-ethylpent-1-en-2-yl)-N-methyl-2-propylidenehex-3-en-1-amine.
What is the SMILES notation for (Z,2E)-N-(3-ethylpent-1-en-2-yl)-N-methyl-2-propylidenehex-3-en-1-amine?
The canonical SMILES for (Z,2E)-N-(3-ethylpent-1-en-2-yl)-N-methyl-2-propylidenehex-3-en-1-amine is C=C(C(CC)CC)N(C)CC(/C=C\CC)=C/CC.
What is the InChIKey of (Z,2E)-N-(3-ethylpent-1-en-2-yl)-N-methyl-2-propylidenehex-3-en-1-amine?
The InChIKey is WGZLHHQBFKLRIA-FFKGAHPDSA-N. The full InChI is InChI=1S/C17H31N/c1-7-11-13-16(12-8-2)14-18(6)15(5)17(9-3)10-4/h11-13,17H,5,7-10,14H2,1-4,6H3/b13-11-,16-12+.
What are the key properties of (Z,2E)-N-(3-ethylpent-1-en-2-yl)-N-methyl-2-propylidenehex-3-en-1-amine?
(Z,2E)-N-(3-ethylpent-1-en-2-yl)-N-methyl-2-propylidenehex-3-en-1-amine has a molecular weight of 249.44 g/mol, XLogP of 5.17, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-N-(3-ethylpent-1-en-2-yl)-N-methyl-2-propylidenehex-3-en-1-amine is sourced from PubChem (CID 130383472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).