[3-(2-methylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol

C13H23N3O — CID 79645743

IUPAC[3-(2-methylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCc1nccn1C1CCC(CO)(NC(C)C)C1
InChIInChI=1S/C13H23N3O/c1-10(2)15-13(9-17)5-4-12(8-13)16-7-6-14-11(16)3/h6-7,10,12,15,17H,4-5,8-9H2,1-3H3
InChIKeyKOYLTKBWYGHKHG-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.65
Rot. Bonds4

About [3-(2-methylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol

[3-(2-methylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol (PubChem CID 79645743) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [3-(2-methylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-(2-methylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
PubChem CID79645743
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[3-(2-methylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCc1nccn1C1CCC(CO)(NC(C)C)C1
InChIInChI=1S/C13H23N3O/c1-10(2)15-13(9-17)5-4-12(8-13)16-7-6-14-11(16)3/h6-7,10,12,15,17H,4-5,8-9H2,1-3H3
InChIKeyKOYLTKBWYGHKHG-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656843
[1-(methylamino)-3-(2-propylimidazol-1-yl)cyclopentyl]methanol
CID 79644477
1-(ethylamino)-3-(2-methylimidazol-1-yl)cyclopentane-1-carboxylic acid
CID 79651601
[3-(2,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656392
[3-(3,5-dimethylpyrazol-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79641284
[3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656613
[3-(2,5-dimethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656040
methyl 1-amino-3-(2-methylimidazol-1-yl)cyclohexane-1-carboxylate
CID 79641864
[3-(4-ethylazepan-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656555
[3-(4-methylsulfonylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79647012
[3-(4-bromopyrazol-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640181
[3-(2-methylimidazol-1-yl)cyclohexyl]methanol
CID 174383256

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol?
The IUPAC name of [3-(2-methylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol (CID 79645743) is [3-(2-methylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-(2-methylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol?
The canonical SMILES for [3-(2-methylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol is Cc1nccn1C1CCC(CO)(NC(C)C)C1.
What is the InChIKey of [3-(2-methylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol?
The InChIKey is KOYLTKBWYGHKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)15-13(9-17)5-4-12(8-13)16-7-6-14-11(16)3/h6-7,10,12,15,17H,4-5,8-9H2,1-3H3.
What are the key properties of [3-(2-methylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol?
[3-(2-methylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol has a molecular weight of 237.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 79645743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).