1-(1-methylimidazol-2-yl)-N-propyloct-7-en-1-amine

C15H27N3 — CID 107009559

IUPAC1-(1-methylimidazol-2-yl)-N-propyloct-7-en-1-amine
SMILESC=CCCCCCC(NCCC)c1nccn1C
InChIInChI=1S/C15H27N3/c1-4-6-7-8-9-10-14(16-11-5-2)15-17-12-13-18(15)3/h4,12-14,16H,1,5-11H2,2-3H3
InChIKeyNQWQQAMZXLWPAT-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.60
Rot. Bonds10

About 1-(1-methylimidazol-2-yl)-N-propyloct-7-en-1-amine

1-(1-methylimidazol-2-yl)-N-propyloct-7-en-1-amine (PubChem CID 107009559) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-N-propyloct-7-en-1-amine.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-N-propyloct-7-en-1-amine
PubChem CID107009559
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-(1-methylimidazol-2-yl)-N-propyloct-7-en-1-amine
SMILESC=CCCCCCC(NCCC)c1nccn1C
InChIInChI=1S/C15H27N3/c1-4-6-7-8-9-10-14(16-11-5-2)15-17-12-13-18(15)3/h4,12-14,16H,1,5-11H2,2-3H3
InChIKeyNQWQQAMZXLWPAT-UHFFFAOYSA-N
XLogP3.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methylimidazol-4-yl)-N-propyloct-7-en-1-amine
CID 114023315
3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105149514
N-propyl-1-pyridin-2-yloct-7-en-1-amine
CID 107008851
N-[2-ethylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 65127541
3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
CID 63974740
N-[1-(1-methylimidazol-2-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63976870
1-(1-methylimidazol-2-yl)heptylhydrazine
CID 105258177
1-(2,6-dimethyl-3-pyridinyl)-N-propyloct-7-en-1-amine
CID 107011930
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propyloct-7-en-1-amine
CID 107012014
1-(3,5-dimethylphenyl)-N-propyloct-7-en-1-amine
CID 107011718
1-(2-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine
CID 105153281
1-(1-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine
CID 65197711

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-N-propyloct-7-en-1-amine?
The IUPAC name of 1-(1-methylimidazol-2-yl)-N-propyloct-7-en-1-amine (CID 107009559) is 1-(1-methylimidazol-2-yl)-N-propyloct-7-en-1-amine.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-N-propyloct-7-en-1-amine?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-N-propyloct-7-en-1-amine is C=CCCCCCC(NCCC)c1nccn1C.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-N-propyloct-7-en-1-amine?
The InChIKey is NQWQQAMZXLWPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-6-7-8-9-10-14(16-11-5-2)15-17-12-13-18(15)3/h4,12-14,16H,1,5-11H2,2-3H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-N-propyloct-7-en-1-amine?
1-(1-methylimidazol-2-yl)-N-propyloct-7-en-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.60, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-N-propyloct-7-en-1-amine is sourced from PubChem (CID 107009559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).