1-(1H-imidazol-2-yl)-N-methylundecan-2-amine

C15H29N3 — CID 65450081

IUPAC1-(1H-imidazol-2-yl)-N-methylundecan-2-amine
SMILESCCCCCCCCCC(Cc1ncc[nH]1)NC
InChIInChI=1S/C15H29N3/c1-3-4-5-6-7-8-9-10-14(16-2)13-15-17-11-12-18-15/h11-12,14,16H,3-10,13H2,1-2H3,(H,17,18)
InChIKeyCZXNQPOUMXCOJS-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.68
Rot. Bonds11

About 1-(1H-imidazol-2-yl)-N-methylundecan-2-amine

1-(1H-imidazol-2-yl)-N-methylundecan-2-amine (PubChem CID 65450081) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-N-methylundecan-2-amine.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-N-methylundecan-2-amine
PubChem CID65450081
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-(1H-imidazol-2-yl)-N-methylundecan-2-amine
SMILESCCCCCCCCCC(Cc1ncc[nH]1)NC
InChIInChI=1S/C15H29N3/c1-3-4-5-6-7-8-9-10-14(16-2)13-15-17-11-12-18-15/h11-12,14,16H,3-10,13H2,1-2H3,(H,17,18)
InChIKeyCZXNQPOUMXCOJS-UHFFFAOYSA-N
XLogP3.68
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(1H-imidazol-2-yl)octan-2-amine
CID 114752420
2-(3-pentylnonyl)-1H-imidazole
CID 130279651
2-[(Z)-2-methyloctadec-9-enyl]-1H-imidazole
CID 67736458
3-(1H-imidazol-2-ylmethyl)undecan-5-ol
CID 161238769
2-octadecyl-1H-imidazole
CID 54221067
2-dodecyl-1H-imidazole
CID 22019838
2-octyl-1H-imidazole
CID 18347297
2-decyl-1H-imidazole
CID 3089145
N-methyl-1-pyridin-4-yldecan-2-amine
CID 62605644
2-hexadecyl-1H-imidazole;hydrobromide
CID 175342933
N-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine
CID 105015264
2-(12-icosoxyoctadecyl)-1H-imidazole
CID 141072232

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-N-methylundecan-2-amine?
The IUPAC name of 1-(1H-imidazol-2-yl)-N-methylundecan-2-amine (CID 65450081) is 1-(1H-imidazol-2-yl)-N-methylundecan-2-amine.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-N-methylundecan-2-amine?
The canonical SMILES for 1-(1H-imidazol-2-yl)-N-methylundecan-2-amine is CCCCCCCCCC(Cc1ncc[nH]1)NC.
What is the InChIKey of 1-(1H-imidazol-2-yl)-N-methylundecan-2-amine?
The InChIKey is CZXNQPOUMXCOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-3-4-5-6-7-8-9-10-14(16-2)13-15-17-11-12-18-15/h11-12,14,16H,3-10,13H2,1-2H3,(H,17,18).
What are the key properties of 1-(1H-imidazol-2-yl)-N-methylundecan-2-amine?
1-(1H-imidazol-2-yl)-N-methylundecan-2-amine has a molecular weight of 251.42 g/mol, XLogP of 3.68, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-N-methylundecan-2-amine is sourced from PubChem (CID 65450081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).