1-[(2-imidazol-1-ylethylamino)methyl]-4-methylcyclohexan-1-ol

C13H23N3O — CID 21302964

IUPAC1-[(2-imidazol-1-ylethylamino)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNCCn2ccnc2)CC1
InChIInChI=1S/C13H23N3O/c1-12-2-4-13(17,5-3-12)10-14-6-8-16-9-7-15-11-16/h7,9,11-12,14,17H,2-6,8,10H2,1H3
InChIKeyIZVOWDZCQWAYID-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.41
Rot. Bonds5

About 1-[(2-imidazol-1-ylethylamino)methyl]-4-methylcyclohexan-1-ol

1-[(2-imidazol-1-ylethylamino)methyl]-4-methylcyclohexan-1-ol (PubChem CID 21302964) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[(2-imidazol-1-ylethylamino)methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-imidazol-1-ylethylamino)methyl]-4-methylcyclohexan-1-ol
PubChem CID21302964
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[(2-imidazol-1-ylethylamino)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNCCn2ccnc2)CC1
InChIInChI=1S/C13H23N3O/c1-12-2-4-13(17,5-3-12)10-14-6-8-16-9-7-15-11-16/h7,9,11-12,14,17H,2-6,8,10H2,1H3
InChIKeyIZVOWDZCQWAYID-UHFFFAOYSA-N
XLogP1.41
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-imidazol-1-ylethylamino)methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[(2-imidazol-1-ylethylamino)methyl]-4-methylcyclohexan-1-ol (CID 21302964) is 1-[(2-imidazol-1-ylethylamino)methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2-imidazol-1-ylethylamino)methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(2-imidazol-1-ylethylamino)methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CNCCn2ccnc2)CC1.
What is the InChIKey of 1-[(2-imidazol-1-ylethylamino)methyl]-4-methylcyclohexan-1-ol?
The InChIKey is IZVOWDZCQWAYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-12-2-4-13(17,5-3-12)10-14-6-8-16-9-7-15-11-16/h7,9,11-12,14,17H,2-6,8,10H2,1H3.
What are the key properties of 1-[(2-imidazol-1-ylethylamino)methyl]-4-methylcyclohexan-1-ol?
1-[(2-imidazol-1-ylethylamino)methyl]-4-methylcyclohexan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-imidazol-1-ylethylamino)methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 21302964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).