3-[[(S)-cyclohexyl(cyclopropyl)methyl]amino]-2,2-dimethylpropanamide

C15H28N2O — CID 99853782

IUPAC3-[[(S)-cyclohexyl(cyclopropyl)methyl]amino]-2,2-dimethylpropanamide
SMILESCC(C)(CN[C@H](C1CCCCC1)C1CC1)C(N)=O
InChIInChI=1S/C15H28N2O/c1-15(2,14(16)18)10-17-13(12-8-9-12)11-6-4-3-5-7-11/h11-13,17H,3-10H2,1-2H3,(H2,16,18)/t13-/m1/s1
InChIKeyDAJRYIIOEPMOOD-CYBMUJFWSA-N
MW252.40 g/mol
LogP2.45
Rot. Bonds6

About 3-[[(S)-cyclohexyl(cyclopropyl)methyl]amino]-2,2-dimethylpropanamide

3-[[(S)-cyclohexyl(cyclopropyl)methyl]amino]-2,2-dimethylpropanamide (PubChem CID 99853782) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-[[(S)-cyclohexyl(cyclopropyl)methyl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[(S)-cyclohexyl(cyclopropyl)methyl]amino]-2,2-dimethylpropanamide
PubChem CID99853782
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-[[(S)-cyclohexyl(cyclopropyl)methyl]amino]-2,2-dimethylpropanamide
SMILESCC(C)(CN[C@H](C1CCCCC1)C1CC1)C(N)=O
InChIInChI=1S/C15H28N2O/c1-15(2,14(16)18)10-17-13(12-8-9-12)11-6-4-3-5-7-11/h11-13,17H,3-10H2,1-2H3,(H2,16,18)/t13-/m1/s1
InChIKeyDAJRYIIOEPMOOD-CYBMUJFWSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[(S)-cyclohexyl(cyclopropyl)methyl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[(S)-cyclohexyl(cyclopropyl)methyl]amino]-2,2-dimethylpropanamide (CID 99853782) is 3-[[(S)-cyclohexyl(cyclopropyl)methyl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[(S)-cyclohexyl(cyclopropyl)methyl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[(S)-cyclohexyl(cyclopropyl)methyl]amino]-2,2-dimethylpropanamide is CC(C)(CN[C@H](C1CCCCC1)C1CC1)C(N)=O.
What is the InChIKey of 3-[[(S)-cyclohexyl(cyclopropyl)methyl]amino]-2,2-dimethylpropanamide?
The InChIKey is DAJRYIIOEPMOOD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(2,14(16)18)10-17-13(12-8-9-12)11-6-4-3-5-7-11/h11-13,17H,3-10H2,1-2H3,(H2,16,18)/t13-/m1/s1.
What are the key properties of 3-[[(S)-cyclohexyl(cyclopropyl)methyl]amino]-2,2-dimethylpropanamide?
3-[[(S)-cyclohexyl(cyclopropyl)methyl]amino]-2,2-dimethylpropanamide has a molecular weight of 252.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(S)-cyclohexyl(cyclopropyl)methyl]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 99853782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).