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

C13H23N3O — CID 62526190

IUPAC[1-[(1-ethylimidazol-2-yl)amino]-4-methylcyclohexyl]methanol
SMILESCCn1ccnc1NC1(CO)CCC(C)CC1
InChIInChI=1S/C13H23N3O/c1-3-16-9-8-14-12(16)15-13(10-17)6-4-11(2)5-7-13/h8-9,11,17H,3-7,10H2,1-2H3,(H,14,15)
InChIKeyDWFVCJRERLYZCX-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.26
Rot. Bonds4

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

[1-[(1-ethylimidazol-2-yl)amino]-4-methylcyclohexyl]methanol (PubChem CID 62526190) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [1-[(1-ethylimidazol-2-yl)amino]-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(1-ethylimidazol-2-yl)amino]-4-methylcyclohexyl]methanol
PubChem CID62526190
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[1-[(1-ethylimidazol-2-yl)amino]-4-methylcyclohexyl]methanol
SMILESCCn1ccnc1NC1(CO)CCC(C)CC1
InChIInChI=1S/C13H23N3O/c1-3-16-9-8-14-12(16)15-13(10-17)6-4-11(2)5-7-13/h8-9,11,17H,3-7,10H2,1-2H3,(H,14,15)
InChIKeyDWFVCJRERLYZCX-UHFFFAOYSA-N
XLogP2.26
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.26
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]-4-methylcyclohexyl]methanol?
The IUPAC name of [1-[(1-ethylimidazol-2-yl)amino]-4-methylcyclohexyl]methanol (CID 62526190) is [1-[(1-ethylimidazol-2-yl)amino]-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(1-ethylimidazol-2-yl)amino]-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(1-ethylimidazol-2-yl)amino]-4-methylcyclohexyl]methanol is CCn1ccnc1NC1(CO)CCC(C)CC1.
What is the InChIKey of [1-[(1-ethylimidazol-2-yl)amino]-4-methylcyclohexyl]methanol?
The InChIKey is DWFVCJRERLYZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-16-9-8-14-12(16)15-13(10-17)6-4-11(2)5-7-13/h8-9,11,17H,3-7,10H2,1-2H3,(H,14,15).
What are the key properties of [1-[(1-ethylimidazol-2-yl)amino]-4-methylcyclohexyl]methanol?
[1-[(1-ethylimidazol-2-yl)amino]-4-methylcyclohexyl]methanol has a molecular weight of 237.35 g/mol, XLogP of 2.26, 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]-4-methylcyclohexyl]methanol is sourced from PubChem (CID 62526190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).