[3-(4-ethylazepan-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol

C17H34N2O — CID 79656555

IUPAC[3-(4-ethylazepan-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCCC1CCCN(C2CCC(CO)(NC(C)C)C2)CC1
InChIInChI=1S/C17H34N2O/c1-4-15-6-5-10-19(11-8-15)16-7-9-17(12-16,13-20)18-14(2)3/h14-16,18,20H,4-13H2,1-3H3
InChIKeyNQWBOCBUBGMAGH-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.78
Rot. Bonds5

About [3-(4-ethylazepan-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol

[3-(4-ethylazepan-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol (PubChem CID 79656555) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is [3-(4-ethylazepan-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-(4-ethylazepan-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
PubChem CID79656555
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name[3-(4-ethylazepan-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCCC1CCCN(C2CCC(CO)(NC(C)C)C2)CC1
InChIInChI=1S/C17H34N2O/c1-4-15-6-5-10-19(11-8-15)16-7-9-17(12-16,13-20)18-14(2)3/h14-16,18,20H,4-13H2,1-3H3
InChIKeyNQWBOCBUBGMAGH-UHFFFAOYSA-N
XLogP2.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-(4-ethylazepan-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol with MolForge

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Related Compounds

[3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656613
3-(4-ethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79651186
[3-(4-methylsulfonylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79647012
[3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656843
[3-(3-methylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635370
[1-amino-3-(4-ethylpiperidin-1-yl)cyclopentyl]methanol
CID 79655902
[3-(3,4-dimethylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79634525
[3-(2,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656392
[1-amino-3-(4-propan-2-ylazepan-1-yl)cyclopentyl]methanol
CID 79656554
[1-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclopentyl]methanol
CID 79647005
1-(ethylamino)-3-(4-ethylazepan-1-yl)cyclopentane-1-carbonitrile
CID 79638583
[3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656417

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethylazepan-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol?
The IUPAC name of [3-(4-ethylazepan-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol (CID 79656555) is [3-(4-ethylazepan-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-(4-ethylazepan-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol?
The canonical SMILES for [3-(4-ethylazepan-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol is CCC1CCCN(C2CCC(CO)(NC(C)C)C2)CC1.
What is the InChIKey of [3-(4-ethylazepan-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol?
The InChIKey is NQWBOCBUBGMAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-15-6-5-10-19(11-8-15)16-7-9-17(12-16,13-20)18-14(2)3/h14-16,18,20H,4-13H2,1-3H3.
What are the key properties of [3-(4-ethylazepan-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol?
[3-(4-ethylazepan-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol has a molecular weight of 282.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethylazepan-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 79656555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).