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

C13H23N3O — CID 55081984

IUPAC[1-[(1-ethylimidazol-2-yl)methylamino]cyclohexyl]methanol
SMILESCCn1ccnc1CNC1(CO)CCCCC1
InChIInChI=1S/C13H23N3O/c1-2-16-9-8-14-12(16)10-15-13(11-17)6-4-3-5-7-13/h8-9,15,17H,2-7,10-11H2,1H3
InChIKeyQBZAKDSBDPQHPY-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.69
Rot. Bonds5

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

[1-[(1-ethylimidazol-2-yl)methylamino]cyclohexyl]methanol (PubChem CID 55081984) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [1-[(1-ethylimidazol-2-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(1-ethylimidazol-2-yl)methylamino]cyclohexyl]methanol
PubChem CID55081984
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[1-[(1-ethylimidazol-2-yl)methylamino]cyclohexyl]methanol
SMILESCCn1ccnc1CNC1(CO)CCCCC1
InChIInChI=1S/C13H23N3O/c1-2-16-9-8-14-12(16)10-15-13(11-17)6-4-3-5-7-13/h8-9,15,17H,2-7,10-11H2,1H3
InChIKeyQBZAKDSBDPQHPY-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
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)methylamino]cyclohexyl]methanol?
The IUPAC name of [1-[(1-ethylimidazol-2-yl)methylamino]cyclohexyl]methanol (CID 55081984) is [1-[(1-ethylimidazol-2-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(1-ethylimidazol-2-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [1-[(1-ethylimidazol-2-yl)methylamino]cyclohexyl]methanol is CCn1ccnc1CNC1(CO)CCCCC1.
What is the InChIKey of [1-[(1-ethylimidazol-2-yl)methylamino]cyclohexyl]methanol?
The InChIKey is QBZAKDSBDPQHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-16-9-8-14-12(16)10-15-13(11-17)6-4-3-5-7-13/h8-9,15,17H,2-7,10-11H2,1H3.
What are the key properties of [1-[(1-ethylimidazol-2-yl)methylamino]cyclohexyl]methanol?
[1-[(1-ethylimidazol-2-yl)methylamino]cyclohexyl]methanol has a molecular weight of 237.35 g/mol, XLogP of 1.69, 5 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)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 55081984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).