[1-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol

C14H25N3O — CID 103965802

IUPAC[1-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol
SMILESCCn1cncc1CNCC1(CO)CCCCC1
InChIInChI=1S/C14H25N3O/c1-2-17-12-16-9-13(17)8-15-10-14(11-18)6-4-3-5-7-14/h9,12,15,18H,2-8,10-11H2,1H3
InChIKeyMWYCWPBKMYVIIW-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.94
Rot. Bonds6

About [1-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol

[1-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol (PubChem CID 103965802) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is [1-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol
PubChem CID103965802
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name[1-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol
SMILESCCn1cncc1CNCC1(CO)CCCCC1
InChIInChI=1S/C14H25N3O/c1-2-17-12-16-9-13(17)8-15-10-14(11-18)6-4-3-5-7-14/h9,12,15,18H,2-8,10-11H2,1H3
InChIKeyMWYCWPBKMYVIIW-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclohexyl]methanol
CID 115683848
3-[[(3-ethylimidazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 106099901
N-[(1-methylcyclopentyl)methyl]-1-(3-propylimidazol-4-yl)methanamine
CID 66129391
N,N-dimethyl-1-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 66133760
2-cyclohexyl-N-[(3-ethylimidazol-4-yl)methyl]ethanamine
CID 66135055
3-[(3-ethylimidazol-4-yl)methylamino]-2-methylpropane-1,2-diol
CID 66168390
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 66133237
[1-[[(1-ethylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol
CID 79479607
[1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexyl]methanol
CID 103966491
[1-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopentyl]methanol
CID 112669129
6-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 103966313
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230

Frequently Asked Questions

What is the IUPAC name of [1-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol (CID 103965802) is [1-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol is CCn1cncc1CNCC1(CO)CCCCC1.
What is the InChIKey of [1-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol?
The InChIKey is MWYCWPBKMYVIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-2-17-12-16-9-13(17)8-15-10-14(11-18)6-4-3-5-7-14/h9,12,15,18H,2-8,10-11H2,1H3.
What are the key properties of [1-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol?
[1-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol has a molecular weight of 251.37 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 103965802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).