2-[(2,2-dimethylcyclopentyl)amino]-N-pentan-3-ylpropanamide

C15H30N2O — CID 79861523

IUPAC2-[(2,2-dimethylcyclopentyl)amino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NC1CCCC1(C)C
InChIInChI=1S/C15H30N2O/c1-6-12(7-2)17-14(18)11(3)16-13-9-8-10-15(13,4)5/h11-13,16H,6-10H2,1-5H3,(H,17,18)
InChIKeyJTJWEHYQOXXRQA-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.85
Rot. Bonds6

About 2-[(2,2-dimethylcyclopentyl)amino]-N-pentan-3-ylpropanamide

2-[(2,2-dimethylcyclopentyl)amino]-N-pentan-3-ylpropanamide (PubChem CID 79861523) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclopentyl)amino]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclopentyl)amino]-N-pentan-3-ylpropanamide
PubChem CID79861523
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-[(2,2-dimethylcyclopentyl)amino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NC1CCCC1(C)C
InChIInChI=1S/C15H30N2O/c1-6-12(7-2)17-14(18)11(3)16-13-9-8-10-15(13,4)5/h11-13,16H,6-10H2,1-5H3,(H,17,18)
InChIKeyJTJWEHYQOXXRQA-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclopentyl)amino]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[(2,2-dimethylcyclopentyl)amino]-N-pentan-3-ylpropanamide (CID 79861523) is 2-[(2,2-dimethylcyclopentyl)amino]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[(2,2-dimethylcyclopentyl)amino]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[(2,2-dimethylcyclopentyl)amino]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)NC1CCCC1(C)C.
What is the InChIKey of 2-[(2,2-dimethylcyclopentyl)amino]-N-pentan-3-ylpropanamide?
The InChIKey is JTJWEHYQOXXRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-6-12(7-2)17-14(18)11(3)16-13-9-8-10-15(13,4)5/h11-13,16H,6-10H2,1-5H3,(H,17,18).
What are the key properties of 2-[(2,2-dimethylcyclopentyl)amino]-N-pentan-3-ylpropanamide?
2-[(2,2-dimethylcyclopentyl)amino]-N-pentan-3-ylpropanamide has a molecular weight of 254.42 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclopentyl)amino]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 79861523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).