1-(ethenylideneamino)-N-hex-1-en-2-yl-6-methylidenenonan-5-amine

C18H32N2 — CID 166689820

IUPAC1-(ethenylideneamino)-N-hex-1-en-2-yl-6-methylidenenonan-5-amine
SMILESC=C=NCCCCC(NC(=C)CCCC)C(=C)CCC
InChIInChI=1S/C18H32N2/c1-6-9-13-17(5)20-18(16(4)12-7-2)14-10-11-15-19-8-3/h18,20H,3-7,9-15H2,1-2H3
InChIKeySNNCNXVPEDZMOY-UHFFFAOYSA-N
MW276.47 g/mol
LogP5.03
Rot. Bonds13

About 1-(ethenylideneamino)-N-hex-1-en-2-yl-6-methylidenenonan-5-amine

1-(ethenylideneamino)-N-hex-1-en-2-yl-6-methylidenenonan-5-amine (PubChem CID 166689820) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-(ethenylideneamino)-N-hex-1-en-2-yl-6-methylidenenonan-5-amine.

Molecular Properties

Compound Name1-(ethenylideneamino)-N-hex-1-en-2-yl-6-methylidenenonan-5-amine
PubChem CID166689820
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-(ethenylideneamino)-N-hex-1-en-2-yl-6-methylidenenonan-5-amine
SMILESC=C=NCCCCC(NC(=C)CCCC)C(=C)CCC
InChIInChI=1S/C18H32N2/c1-6-9-13-17(5)20-18(16(4)12-7-2)14-10-11-15-19-8-3/h18,20H,3-7,9-15H2,1-2H3
InChIKeySNNCNXVPEDZMOY-UHFFFAOYSA-N
XLogP5.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.47
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-hex-1-en-2-yl-4-methylideneheptan-3-amine
CID 129043302
N-(4-methylpent-4-enyl)tricos-1-en-2-amine
CID 129262875
1-N-ethenyl-8-N-(8-methylnon-8-enyl)non-8-ene-1,8-diamine
CID 130251155
4-N-methyl-2-N-(2-methylhept-1-en-3-yl)hex-1-ene-2,4-diamine
CID 130374238
N'-methyl-N-(6-methyl-5-methylidenehept-1-en-2-yl)-N'-propan-2-yloctane-1,8-diamine
CID 130399821
N'-(6-methyl-5-methylidenehept-1-en-2-yl)-N-propan-2-yloctane-1,8-diamine
CID 132001500
1-N-(6-aminohex-1-en-2-yl)-5-N,6-dimethylhept-6-ene-1,5-diamine
CID 132111063
N-dec-1-en-2-ylheptadecan-9-amine
CID 132156851
1-N-heptadec-1-en-2-yl-2-N-[2-(methylamino)prop-2-enyl]prop-2-ene-1,2-diamine
CID 132175232
10-(Dimethylamino)decyl-dimethyl-[3-(4-methylpenta-1,4-dien-2-ylamino)propyl]azanium
CID 134365561
1-N-[5-(heptadec-1-en-2-ylamino)pent-1-en-2-yl]-5-N,6-dimethylhept-6-ene-1,5-diamine
CID 134600958
1-N-heptadec-1-en-2-yl-6-N-[6-methyl-5-(methylamino)hept-6-enyl]hept-6-ene-1,5,6-triamine
CID 134604081

Frequently Asked Questions

What is the IUPAC name of 1-(ethenylideneamino)-N-hex-1-en-2-yl-6-methylidenenonan-5-amine?
The IUPAC name of 1-(ethenylideneamino)-N-hex-1-en-2-yl-6-methylidenenonan-5-amine (CID 166689820) is 1-(ethenylideneamino)-N-hex-1-en-2-yl-6-methylidenenonan-5-amine.
What is the SMILES notation for 1-(ethenylideneamino)-N-hex-1-en-2-yl-6-methylidenenonan-5-amine?
The canonical SMILES for 1-(ethenylideneamino)-N-hex-1-en-2-yl-6-methylidenenonan-5-amine is C=C=NCCCCC(NC(=C)CCCC)C(=C)CCC.
What is the InChIKey of 1-(ethenylideneamino)-N-hex-1-en-2-yl-6-methylidenenonan-5-amine?
The InChIKey is SNNCNXVPEDZMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-9-13-17(5)20-18(16(4)12-7-2)14-10-11-15-19-8-3/h18,20H,3-7,9-15H2,1-2H3.
What are the key properties of 1-(ethenylideneamino)-N-hex-1-en-2-yl-6-methylidenenonan-5-amine?
1-(ethenylideneamino)-N-hex-1-en-2-yl-6-methylidenenonan-5-amine has a molecular weight of 276.47 g/mol, XLogP of 5.03, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethenylideneamino)-N-hex-1-en-2-yl-6-methylidenenonan-5-amine is sourced from PubChem (CID 166689820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).