(2,2-dimethylcyclopentyl)-(4-hydroxy-4-methylazepan-1-yl)methanone

C15H27NO2 — CID 107406138

IUPAC(2,2-dimethylcyclopentyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)C2CCCC2(C)C)CC1
InChIInChI=1S/C15H27NO2/c1-14(2)7-4-6-12(14)13(17)16-10-5-8-15(3,18)9-11-16/h12,18H,4-11H2,1-3H3
InChIKeyYVSFGSBNZRLZEJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.58
Rot. Bonds1

About (2,2-dimethylcyclopentyl)-(4-hydroxy-4-methylazepan-1-yl)methanone

(2,2-dimethylcyclopentyl)-(4-hydroxy-4-methylazepan-1-yl)methanone (PubChem CID 107406138) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (2,2-dimethylcyclopentyl)-(4-hydroxy-4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclopentyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
PubChem CID107406138
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(2,2-dimethylcyclopentyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)C2CCCC2(C)C)CC1
InChIInChI=1S/C15H27NO2/c1-14(2)7-4-6-12(14)13(17)16-10-5-8-15(3,18)9-11-16/h12,18H,4-11H2,1-3H3
InChIKeyYVSFGSBNZRLZEJ-UHFFFAOYSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Tert-butyl-1-(3-hydroxy-3-methylbutyl)azepan-2-one
CID 79359550
1-(3-Hydroxy-3-methylbutyl)-5-propylazepan-2-one
CID 79362016
Azepan-1-yl-(2,2-dimethylcyclopentyl)methanone
CID 104916412
N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylcyclopentane-1-carboxamide
CID 104919950
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104919959
N-(3-hydroxybutyl)-N,2,2-trimethylcyclopentane-1-carboxamide
CID 104919962
(2,2-Dimethylcyclopentyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 104919981
N-[(1-hydroxycyclopentyl)methyl]-N,2,2-trimethylcyclopentane-1-carboxamide
CID 104920445
N-ethyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920484
4-[(2,2-Dimethylcyclopentanecarbonyl)-methylamino]butanoic acid
CID 107175151
(2,2-Dimethylcyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107180395
[2-(Aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404274

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopentyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The IUPAC name of (2,2-dimethylcyclopentyl)-(4-hydroxy-4-methylazepan-1-yl)methanone (CID 107406138) is (2,2-dimethylcyclopentyl)-(4-hydroxy-4-methylazepan-1-yl)methanone.
What is the SMILES notation for (2,2-dimethylcyclopentyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The canonical SMILES for (2,2-dimethylcyclopentyl)-(4-hydroxy-4-methylazepan-1-yl)methanone is CC1(O)CCCN(C(=O)C2CCCC2(C)C)CC1.
What is the InChIKey of (2,2-dimethylcyclopentyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The InChIKey is YVSFGSBNZRLZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-14(2)7-4-6-12(14)13(17)16-10-5-8-15(3,18)9-11-16/h12,18H,4-11H2,1-3H3.
What are the key properties of (2,2-dimethylcyclopentyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
(2,2-dimethylcyclopentyl)-(4-hydroxy-4-methylazepan-1-yl)methanone has a molecular weight of 253.39 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopentyl)-(4-hydroxy-4-methylazepan-1-yl)methanone is sourced from PubChem (CID 107406138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).