[1-(1H-imidazol-2-ylmethylamino)-3-methylcyclohexyl]methanol

C12H21N3O — CID 62550951

IUPAC[1-(1H-imidazol-2-ylmethylamino)-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2ncc[nH]2)C1
InChIInChI=1S/C12H21N3O/c1-10-3-2-4-12(7-10,9-16)15-8-11-13-5-6-14-11/h5-6,10,15-16H,2-4,7-9H2,1H3,(H,13,14)
InChIKeyRAWYWYGVDHPEPV-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.44
Rot. Bonds4

About [1-(1H-imidazol-2-ylmethylamino)-3-methylcyclohexyl]methanol

[1-(1H-imidazol-2-ylmethylamino)-3-methylcyclohexyl]methanol (PubChem CID 62550951) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [1-(1H-imidazol-2-ylmethylamino)-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(1H-imidazol-2-ylmethylamino)-3-methylcyclohexyl]methanol
PubChem CID62550951
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[1-(1H-imidazol-2-ylmethylamino)-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2ncc[nH]2)C1
InChIInChI=1S/C12H21N3O/c1-10-3-2-4-12(7-10,9-16)15-8-11-13-5-6-14-11/h5-6,10,15-16H,2-4,7-9H2,1H3,(H,13,14)
InChIKeyRAWYWYGVDHPEPV-UHFFFAOYSA-N
XLogP1.44
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1H-imidazol-2-ylmethylamino)-3-methylcyclohexyl]methanol?
The IUPAC name of [1-(1H-imidazol-2-ylmethylamino)-3-methylcyclohexyl]methanol (CID 62550951) is [1-(1H-imidazol-2-ylmethylamino)-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-(1H-imidazol-2-ylmethylamino)-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-(1H-imidazol-2-ylmethylamino)-3-methylcyclohexyl]methanol is CC1CCCC(CO)(NCc2ncc[nH]2)C1.
What is the InChIKey of [1-(1H-imidazol-2-ylmethylamino)-3-methylcyclohexyl]methanol?
The InChIKey is RAWYWYGVDHPEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-3-2-4-12(7-10,9-16)15-8-11-13-5-6-14-11/h5-6,10,15-16H,2-4,7-9H2,1H3,(H,13,14).
What are the key properties of [1-(1H-imidazol-2-ylmethylamino)-3-methylcyclohexyl]methanol?
[1-(1H-imidazol-2-ylmethylamino)-3-methylcyclohexyl]methanol has a molecular weight of 223.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-imidazol-2-ylmethylamino)-3-methylcyclohexyl]methanol is sourced from PubChem (CID 62550951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).