3-amino-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol

C12H21N3O — CID 114529231

IUPAC3-amino-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol
SMILESCn1ccnc1CCC1(O)CCCC(N)C1
InChIInChI=1S/C12H21N3O/c1-15-8-7-14-11(15)4-6-12(16)5-2-3-10(13)9-12/h7-8,10,16H,2-6,9,13H2,1H3
InChIKeyZGHGWJFVDXACNS-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.99
Rot. Bonds3

About 3-amino-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol

3-amino-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol (PubChem CID 114529231) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-amino-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol
PubChem CID114529231
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-amino-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol
SMILESCn1ccnc1CCC1(O)CCCC(N)C1
InChIInChI=1S/C12H21N3O/c1-15-8-7-14-11(15)4-6-12(16)5-2-3-10(13)9-12/h7-8,10,16H,2-6,9,13H2,1H3
InChIKeyZGHGWJFVDXACNS-UHFFFAOYSA-N
XLogP0.99
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
CID 80562581
3-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
CID 114532157
trans-(1R,3S)-3-amino-1-(1-methylimidazol-2-yl)cyclohexan-1-ol
CID 154850428
4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol
CID 114529027
3-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxylic acid
CID 114529248
1-[2-(1-methylimidazol-2-yl)ethyl]-4-propylcycloheptan-1-amine
CID 114529396
3,3-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-ol
CID 114529236
3-amino-1-(1-methylimidazol-2-yl)cyclopentan-1-ol
CID 80562885
1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65210949
3-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79744063
1-cyclopentyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530015
2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole
CID 114532734

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol?
The IUPAC name of 3-amino-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol (CID 114529231) is 3-amino-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 3-amino-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 3-amino-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol is Cn1ccnc1CCC1(O)CCCC(N)C1.
What is the InChIKey of 3-amino-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol?
The InChIKey is ZGHGWJFVDXACNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15-8-7-14-11(15)4-6-12(16)5-2-3-10(13)9-12/h7-8,10,16H,2-6,9,13H2,1H3.
What are the key properties of 3-amino-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol?
3-amino-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 114529231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).