(2-hexylimidazol-1-yl)methanamine

C10H19N3 — CID 141279127

IUPAC(2-hexylimidazol-1-yl)methanamine
SMILESCCCCCCc1nccn1CN
InChIInChI=1S/C10H19N3/c1-2-3-4-5-6-10-12-7-8-13(10)9-11/h7-8H,2-6,9,11H2,1H3
InChIKeyNFQZIXPNVQALNF-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.92
Rot. Bonds6

About (2-hexylimidazol-1-yl)methanamine

(2-hexylimidazol-1-yl)methanamine (PubChem CID 141279127) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (2-hexylimidazol-1-yl)methanamine.

Molecular Properties

Compound Name(2-hexylimidazol-1-yl)methanamine
PubChem CID141279127
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(2-hexylimidazol-1-yl)methanamine
SMILESCCCCCCc1nccn1CN
InChIInChI=1S/C10H19N3/c1-2-3-4-5-6-10-12-7-8-13(10)9-11/h7-8H,2-6,9,11H2,1H3
InChIKeyNFQZIXPNVQALNF-UHFFFAOYSA-N
XLogP1.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-di(pentadecyl)imidazole
CID 69388452
2-undecylimidazol-1-amine
CID 19980062
(2-ethylimidazol-1-yl)methanamine
CID 122501271
alumane;2-hexyl-1-methylimidazole;tetrahydrochloride
CID 174887731
1-methyl-2-nonylimidazole
CID 67393993
2-butyl-1-ethylimidazole;hydrochloride
CID 173083631
1-bromo-2-heptylimidazole
CID 141436995
1-methyl-2-pentadecylimidazole
CID 68899434
1-benzyl-2-octylimidazole
CID 70491727
(2-butylimidazol-1-yl)methanol
CID 22012500
2-dodecyl-1-ethylimidazole;trifluoromethanesulfonic acid
CID 173328420
1-(2-undecylimidazol-1-yl)ethanamine
CID 21242197

Frequently Asked Questions

What is the IUPAC name of (2-hexylimidazol-1-yl)methanamine?
The IUPAC name of (2-hexylimidazol-1-yl)methanamine (CID 141279127) is (2-hexylimidazol-1-yl)methanamine.
What is the SMILES notation for (2-hexylimidazol-1-yl)methanamine?
The canonical SMILES for (2-hexylimidazol-1-yl)methanamine is CCCCCCc1nccn1CN.
What is the InChIKey of (2-hexylimidazol-1-yl)methanamine?
The InChIKey is NFQZIXPNVQALNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-2-3-4-5-6-10-12-7-8-13(10)9-11/h7-8H,2-6,9,11H2,1H3.
What are the key properties of (2-hexylimidazol-1-yl)methanamine?
(2-hexylimidazol-1-yl)methanamine has a molecular weight of 181.28 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hexylimidazol-1-yl)methanamine is sourced from PubChem (CID 141279127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).