N-heptyl-N-methyl-2-methyliminonona-5,8-dien-1-amine

C18H34N2 — CID 123858189

IUPACN-heptyl-N-methyl-2-methyliminonona-5,8-dien-1-amine
SMILESC=CCC=CCC/C(CN(C)CCCCCCC)=N\C
InChIInChI=1S/C18H34N2/c1-5-7-9-11-13-15-18(19-3)17-20(4)16-14-12-10-8-6-2/h5,9,11H,1,6-8,10,12-17H2,2-4H3/b11-9?,19-18+
InChIKeyRPUKLSJVGVAQSZ-UFAZBLEXSA-N
MW278.48 g/mol
LogP4.87
Rot. Bonds13

About N-heptyl-N-methyl-2-methyliminonona-5,8-dien-1-amine

N-heptyl-N-methyl-2-methyliminonona-5,8-dien-1-amine (PubChem CID 123858189) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is N-heptyl-N-methyl-2-methyliminonona-5,8-dien-1-amine.

Molecular Properties

Compound NameN-heptyl-N-methyl-2-methyliminonona-5,8-dien-1-amine
PubChem CID123858189
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC NameN-heptyl-N-methyl-2-methyliminonona-5,8-dien-1-amine
SMILESC=CCC=CCC/C(CN(C)CCCCCCC)=N\C
InChIInChI=1S/C18H34N2/c1-5-7-9-11-13-15-18(19-3)17-20(4)16-14-12-10-8-6-2/h5,9,11H,1,6-8,10,12-17H2,2-4H3/b11-9?,19-18+
InChIKeyRPUKLSJVGVAQSZ-UFAZBLEXSA-N
XLogP4.87
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 54.87
H-Bond Donors ≤ 50
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

1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-ene
CID 66608808
N-octadec-9-enylpropan-2-imine
CID 57091815
3-[[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-ylidene]amino]-N,N-dimethylpropan-1-amine
CID 58069680
1-Cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene
CID 66608809
N,N-dibutyl-1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-en-7-amine
CID 69083457
N,N-dibutyl-1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-en-7-amine
CID 69083458
N-[(Z)-octadec-9-enyl]propan-2-imine
CID 88210663
4-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]imino-N,N-dimethylcyclohexan-1-amine
CID 118391266
6-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]imino-N,N-dimethylhexan-3-amine
CID 118396905
2-heptatriaconta-9,28-dien-19-ylimino-N,N-dimethylpropan-1-amine
CID 123183379
Hexyl-(6-methyloct-4-en-2-ylidene)-propylazanium
CID 123288679
4-heptatriaconta-6,9,28,31-tetraen-19-ylimino-N,N-dimethylcyclohexan-1-amine
CID 123683987

Frequently Asked Questions

What is the IUPAC name of N-heptyl-N-methyl-2-methyliminonona-5,8-dien-1-amine?
The IUPAC name of N-heptyl-N-methyl-2-methyliminonona-5,8-dien-1-amine (CID 123858189) is N-heptyl-N-methyl-2-methyliminonona-5,8-dien-1-amine.
What is the SMILES notation for N-heptyl-N-methyl-2-methyliminonona-5,8-dien-1-amine?
The canonical SMILES for N-heptyl-N-methyl-2-methyliminonona-5,8-dien-1-amine is C=CCC=CCC/C(CN(C)CCCCCCC)=N\C.
What is the InChIKey of N-heptyl-N-methyl-2-methyliminonona-5,8-dien-1-amine?
The InChIKey is RPUKLSJVGVAQSZ-UFAZBLEXSA-N. The full InChI is InChI=1S/C18H34N2/c1-5-7-9-11-13-15-18(19-3)17-20(4)16-14-12-10-8-6-2/h5,9,11H,1,6-8,10,12-17H2,2-4H3/b11-9?,19-18+.
What are the key properties of N-heptyl-N-methyl-2-methyliminonona-5,8-dien-1-amine?
N-heptyl-N-methyl-2-methyliminonona-5,8-dien-1-amine has a molecular weight of 278.48 g/mol, XLogP of 4.87, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-N-methyl-2-methyliminonona-5,8-dien-1-amine is sourced from PubChem (CID 123858189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).