3-[(2-methylcyclopentyl)amino]-N-propan-2-ylbutanamide

C13H26N2O — CID 115689605

IUPAC3-[(2-methylcyclopentyl)amino]-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(C)NC1CCCC1C
InChIInChI=1S/C13H26N2O/c1-9(2)14-13(16)8-11(4)15-12-7-5-6-10(12)3/h9-12,15H,5-8H2,1-4H3,(H,14,16)
InChIKeyBKEOTOXWNUUOFZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.07
Rot. Bonds5

About 3-[(2-methylcyclopentyl)amino]-N-propan-2-ylbutanamide

3-[(2-methylcyclopentyl)amino]-N-propan-2-ylbutanamide (PubChem CID 115689605) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-[(2-methylcyclopentyl)amino]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name3-[(2-methylcyclopentyl)amino]-N-propan-2-ylbutanamide
PubChem CID115689605
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-[(2-methylcyclopentyl)amino]-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(C)NC1CCCC1C
InChIInChI=1S/C13H26N2O/c1-9(2)14-13(16)8-11(4)15-12-7-5-6-10(12)3/h9-12,15H,5-8H2,1-4H3,(H,14,16)
InChIKeyBKEOTOXWNUUOFZ-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine
CID 124709757
(4R)-4-[[(1S,2R)-2-methylcyclohexyl]amino]pentan-1-ol
CID 124710122
N-(4-methoxy-4-methylpentan-2-yl)-2-methylcyclopentan-1-amine
CID 63277832
N-(1-ethylsulfanylpropan-2-yl)-2-methylcyclopentan-1-amine
CID 115725602
2-[[(1R,2S)-2-methylcyclopentyl]amino]propane-1,3-diol
CID 96980281
1-(2-methylcycloheptyl)-3-propan-2-ylurea
CID 115660988
methyl 4-methyl-2-[(2-methylcyclopentyl)amino]pentanoate
CID 65044317
(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 9049858
3-(1-cyclopropylpropylamino)-N-propan-2-ylbutanamide
CID 115724442
1-[(2S)-butan-2-yl]-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 124715194
3,3-difluoro-N-propan-2-ylpropanamide
CID 177328037
N-butan-2-yl-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 43180085

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopentyl)amino]-N-propan-2-ylbutanamide?
The IUPAC name of 3-[(2-methylcyclopentyl)amino]-N-propan-2-ylbutanamide (CID 115689605) is 3-[(2-methylcyclopentyl)amino]-N-propan-2-ylbutanamide.
What is the SMILES notation for 3-[(2-methylcyclopentyl)amino]-N-propan-2-ylbutanamide?
The canonical SMILES for 3-[(2-methylcyclopentyl)amino]-N-propan-2-ylbutanamide is CC(C)NC(=O)CC(C)NC1CCCC1C.
What is the InChIKey of 3-[(2-methylcyclopentyl)amino]-N-propan-2-ylbutanamide?
The InChIKey is BKEOTOXWNUUOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9(2)14-13(16)8-11(4)15-12-7-5-6-10(12)3/h9-12,15H,5-8H2,1-4H3,(H,14,16).
What are the key properties of 3-[(2-methylcyclopentyl)amino]-N-propan-2-ylbutanamide?
3-[(2-methylcyclopentyl)amino]-N-propan-2-ylbutanamide has a molecular weight of 226.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopentyl)amino]-N-propan-2-ylbutanamide is sourced from PubChem (CID 115689605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).