[1-[(1-ethylimidazol-2-yl)methylamino]-4-methylcyclohexyl]methanol

C14H25N3O — CID 55087123

IUPAC[1-[(1-ethylimidazol-2-yl)methylamino]-4-methylcyclohexyl]methanol
SMILESCCn1ccnc1CNC1(CO)CCC(C)CC1
InChIInChI=1S/C14H25N3O/c1-3-17-9-8-15-13(17)10-16-14(11-18)6-4-12(2)5-7-14/h8-9,12,16,18H,3-7,10-11H2,1-2H3
InChIKeyNCRHNJSVYCASMN-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.93
Rot. Bonds5

About [1-[(1-ethylimidazol-2-yl)methylamino]-4-methylcyclohexyl]methanol

[1-[(1-ethylimidazol-2-yl)methylamino]-4-methylcyclohexyl]methanol (PubChem CID 55087123) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is [1-[(1-ethylimidazol-2-yl)methylamino]-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(1-ethylimidazol-2-yl)methylamino]-4-methylcyclohexyl]methanol
PubChem CID55087123
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name[1-[(1-ethylimidazol-2-yl)methylamino]-4-methylcyclohexyl]methanol
SMILESCCn1ccnc1CNC1(CO)CCC(C)CC1
InChIInChI=1S/C14H25N3O/c1-3-17-9-8-15-13(17)10-16-14(11-18)6-4-12(2)5-7-14/h8-9,12,16,18H,3-7,10-11H2,1-2H3
InChIKeyNCRHNJSVYCASMN-UHFFFAOYSA-N
XLogP1.93
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.93
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]-4-methylcyclohexyl]methanol?
The IUPAC name of [1-[(1-ethylimidazol-2-yl)methylamino]-4-methylcyclohexyl]methanol (CID 55087123) is [1-[(1-ethylimidazol-2-yl)methylamino]-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(1-ethylimidazol-2-yl)methylamino]-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(1-ethylimidazol-2-yl)methylamino]-4-methylcyclohexyl]methanol is CCn1ccnc1CNC1(CO)CCC(C)CC1.
What is the InChIKey of [1-[(1-ethylimidazol-2-yl)methylamino]-4-methylcyclohexyl]methanol?
The InChIKey is NCRHNJSVYCASMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-17-9-8-15-13(17)10-16-14(11-18)6-4-12(2)5-7-14/h8-9,12,16,18H,3-7,10-11H2,1-2H3.
What are the key properties of [1-[(1-ethylimidazol-2-yl)methylamino]-4-methylcyclohexyl]methanol?
[1-[(1-ethylimidazol-2-yl)methylamino]-4-methylcyclohexyl]methanol has a molecular weight of 251.37 g/mol, XLogP of 1.93, 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]-4-methylcyclohexyl]methanol is sourced from PubChem (CID 55087123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).