[1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]methanol

C12H21N3O — CID 62521177

IUPAC[1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]methanol
SMILESCCn1ccnc1NC1(CO)CCCCC1
InChIInChI=1S/C12H21N3O/c1-2-15-9-8-13-11(15)14-12(10-16)6-4-3-5-7-12/h8-9,16H,2-7,10H2,1H3,(H,13,14)
InChIKeyVPZONYBERZVWLY-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.01
Rot. Bonds4

About [1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]methanol

[1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]methanol (PubChem CID 62521177) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]methanol
PubChem CID62521177
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]methanol
SMILESCCn1ccnc1NC1(CO)CCCCC1
InChIInChI=1S/C12H21N3O/c1-2-15-9-8-13-11(15)14-12(10-16)6-4-3-5-7-12/h8-9,16H,2-7,10H2,1H3,(H,13,14)
InChIKeyVPZONYBERZVWLY-UHFFFAOYSA-N
XLogP2.01
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]methanol?
The IUPAC name of [1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]methanol (CID 62521177) is [1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]methanol is CCn1ccnc1NC1(CO)CCCCC1.
What is the InChIKey of [1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]methanol?
The InChIKey is VPZONYBERZVWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-15-9-8-13-11(15)14-12(10-16)6-4-3-5-7-12/h8-9,16H,2-7,10H2,1H3,(H,13,14).
What are the key properties of [1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]methanol?
[1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]methanol has a molecular weight of 223.32 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 62521177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).