4-[(2,2-dimethylcyclopentyl)amino]butan-2-one

C11H21NO — CID 145476658

IUPAC4-[(2,2-dimethylcyclopentyl)amino]butan-2-one
SMILESCC(=O)CCNC1CCCC1(C)C
InChIInChI=1S/C11H21NO/c1-9(13)6-8-12-10-5-4-7-11(10,2)3/h10,12H,4-8H2,1-3H3
InChIKeyNUINZBLQPQIJQF-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.13
Rot. Bonds4

About 4-[(2,2-dimethylcyclopentyl)amino]butan-2-one

4-[(2,2-dimethylcyclopentyl)amino]butan-2-one (PubChem CID 145476658) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-[(2,2-dimethylcyclopentyl)amino]butan-2-one.

Molecular Properties

Compound Name4-[(2,2-dimethylcyclopentyl)amino]butan-2-one
PubChem CID145476658
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-[(2,2-dimethylcyclopentyl)amino]butan-2-one
SMILESCC(=O)CCNC1CCCC1(C)C
InChIInChI=1S/C11H21NO/c1-9(13)6-8-12-10-5-4-7-11(10,2)3/h10,12H,4-8H2,1-3H3
InChIKeyNUINZBLQPQIJQF-UHFFFAOYSA-N
XLogP2.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(2,2-dimethylcyclopentyl)amino]butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,2-dimethylcyclopentyl)amino]acetic acid
CID 79865200
3-[(2,2-dimethylcyclopentyl)amino]propan-1-ol
CID 79865194
3-[(2,2-dimethylcyclohexyl)amino]-1-morpholin-4-ylpropan-1-one
CID 112700334
2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79828821
2-chloro-N-(2,2-dimethylcyclopentyl)acetamide
CID 79872044
3-[(2,2-dimethylcyclopentyl)amino]-2,2-dimethylpropanoic acid
CID 79870141
N-ethyl-2,2-dimethylcyclopentan-1-amine;hydrochloride
CID 154577104
N-cyclopentyl-2-[(2,2-dimethylcyclopentyl)amino]acetamide
CID 79861601
1-[[(2,2-dimethylcyclopentyl)amino]methyl]cyclopentan-1-ol
CID 79856985
4-[[(2,2-dimethylcyclopentyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499567
N-(3-butoxypropyl)-2,2-dimethylcyclopentan-1-amine
CID 115704494
N-(2,2-dimethylcyclopentyl)propanamide;ethane
CID 171523007

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylcyclopentyl)amino]butan-2-one?
The IUPAC name of 4-[(2,2-dimethylcyclopentyl)amino]butan-2-one (CID 145476658) is 4-[(2,2-dimethylcyclopentyl)amino]butan-2-one.
What is the SMILES notation for 4-[(2,2-dimethylcyclopentyl)amino]butan-2-one?
The canonical SMILES for 4-[(2,2-dimethylcyclopentyl)amino]butan-2-one is CC(=O)CCNC1CCCC1(C)C.
What is the InChIKey of 4-[(2,2-dimethylcyclopentyl)amino]butan-2-one?
The InChIKey is NUINZBLQPQIJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(13)6-8-12-10-5-4-7-11(10,2)3/h10,12H,4-8H2,1-3H3.
What are the key properties of 4-[(2,2-dimethylcyclopentyl)amino]butan-2-one?
4-[(2,2-dimethylcyclopentyl)amino]butan-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylcyclopentyl)amino]butan-2-one is sourced from PubChem (CID 145476658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).