[1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol

C13H23N3O — CID 55082128

IUPAC[1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol
SMILESCc1nccn1CCNC1(CO)CCCCC1
InChIInChI=1S/C13H23N3O/c1-12-14-7-9-16(12)10-8-15-13(11-17)5-3-2-4-6-13/h7,9,15,17H,2-6,8,10-11H2,1H3
InChIKeyZXWHHABQKQRDCZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.48
Rot. Bonds5

About [1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol

[1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol (PubChem CID 55082128) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol
PubChem CID55082128
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol
SMILESCc1nccn1CCNC1(CO)CCCCC1
InChIInChI=1S/C13H23N3O/c1-12-14-7-9-16(12)10-8-15-13(11-17)5-3-2-4-6-13/h7,9,15,17H,2-6,8,10-11H2,1H3
InChIKeyZXWHHABQKQRDCZ-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 119869306
N-[(1-methylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine
CID 63821869
N-[(1-ethylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine
CID 114125143
2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexan-1-amine
CID 79871377
1-amino-N-[4-(2-methylimidazol-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119892474
[1-[(1-ethylimidazol-2-yl)methylamino]cyclobutyl]methanol
CID 115733170
4-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]azepan-4-ol
CID 107408049
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 61225679
1-[(1-hydroxycycloheptyl)methyl]-3-[4-(2-methylimidazol-1-yl)butyl]urea
CID 111507214
3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-ol
CID 115874156
(4S)-4-hydroxy-4-methyl-3-[3-(2-methylimidazol-1-yl)propyl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 714795
2-[2-(2-methylimidazol-1-yl)ethylamino]propan-1-ol
CID 61493788

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol?
The IUPAC name of [1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol (CID 55082128) is [1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol.
What is the SMILES notation for [1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol?
The canonical SMILES for [1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol is Cc1nccn1CCNC1(CO)CCCCC1.
What is the InChIKey of [1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol?
The InChIKey is ZXWHHABQKQRDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-12-14-7-9-16(12)10-8-15-13(11-17)5-3-2-4-6-13/h7,9,15,17H,2-6,8,10-11H2,1H3.
What are the key properties of [1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol?
[1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol has a molecular weight of 237.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol is sourced from PubChem (CID 55082128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).