1-[(3-imidazol-1-ylpropylamino)methyl]-4-methylcyclohexan-1-ol

C14H25N3O — CID 21302970

IUPAC1-[(3-imidazol-1-ylpropylamino)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNCCCn2ccnc2)CC1
InChIInChI=1S/C14H25N3O/c1-13-3-5-14(18,6-4-13)11-15-7-2-9-17-10-8-16-12-17/h8,10,12-13,15,18H,2-7,9,11H2,1H3
InChIKeyXZVZEDMODMZPFZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.80
Rot. Bonds6

About 1-[(3-imidazol-1-ylpropylamino)methyl]-4-methylcyclohexan-1-ol

1-[(3-imidazol-1-ylpropylamino)methyl]-4-methylcyclohexan-1-ol (PubChem CID 21302970) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[(3-imidazol-1-ylpropylamino)methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3-imidazol-1-ylpropylamino)methyl]-4-methylcyclohexan-1-ol
PubChem CID21302970
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[(3-imidazol-1-ylpropylamino)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNCCCn2ccnc2)CC1
InChIInChI=1S/C14H25N3O/c1-13-3-5-14(18,6-4-13)11-15-7-2-9-17-10-8-16-12-17/h8,10,12-13,15,18H,2-7,9,11H2,1H3
InChIKeyXZVZEDMODMZPFZ-UHFFFAOYSA-N
XLogP1.80
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.80
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-[(3-imidazol-1-ylpropylamino)methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[(3-imidazol-1-ylpropylamino)methyl]-4-methylcyclohexan-1-ol (CID 21302970) is 1-[(3-imidazol-1-ylpropylamino)methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(3-imidazol-1-ylpropylamino)methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(3-imidazol-1-ylpropylamino)methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CNCCCn2ccnc2)CC1.
What is the InChIKey of 1-[(3-imidazol-1-ylpropylamino)methyl]-4-methylcyclohexan-1-ol?
The InChIKey is XZVZEDMODMZPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-13-3-5-14(18,6-4-13)11-15-7-2-9-17-10-8-16-12-17/h8,10,12-13,15,18H,2-7,9,11H2,1H3.
What are the key properties of 1-[(3-imidazol-1-ylpropylamino)methyl]-4-methylcyclohexan-1-ol?
1-[(3-imidazol-1-ylpropylamino)methyl]-4-methylcyclohexan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-imidazol-1-ylpropylamino)methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 21302970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).