3-amino-N-[(1S)-1-cycloheptylethyl]-2,2-dimethylpropanamide

C14H28N2O — CID 115426905

IUPAC3-amino-N-[(1S)-1-cycloheptylethyl]-2,2-dimethylpropanamide
SMILESC[C@H](NC(=O)C(C)(C)CN)C1CCCCCC1
InChIInChI=1S/C14H28N2O/c1-11(12-8-6-4-5-7-9-12)16-13(17)14(2,3)10-15/h11-12H,4-10,15H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyXZNJHVXBCRZVHV-NSHDSACASA-N
MW240.39 g/mol
LogP2.45
Rot. Bonds4

About 3-amino-N-[(1S)-1-cycloheptylethyl]-2,2-dimethylpropanamide

3-amino-N-[(1S)-1-cycloheptylethyl]-2,2-dimethylpropanamide (PubChem CID 115426905) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-amino-N-[(1S)-1-cycloheptylethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(1S)-1-cycloheptylethyl]-2,2-dimethylpropanamide
PubChem CID115426905
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-amino-N-[(1S)-1-cycloheptylethyl]-2,2-dimethylpropanamide
SMILESC[C@H](NC(=O)C(C)(C)CN)C1CCCCCC1
InChIInChI=1S/C14H28N2O/c1-11(12-8-6-4-5-7-9-12)16-13(17)14(2,3)10-15/h11-12H,4-10,15H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyXZNJHVXBCRZVHV-NSHDSACASA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1R)-1-cyclohexylethyl]acetamide
CID 81386621
N-[(1S)-1-cyclohexylethyl]-2-methoxy-2-methylpropanamide
CID 103029230
3-amino-N-[(1R)-1-cycloheptylethyl]-3-methylbutanamide
CID 81393226
4-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]butanamide
CID 114285687
N-[(1R)-1-cyclopentylethyl]-2-methoxy-2-methylpropanamide
CID 103029233
6-amino-N-[(1S)-1-cycloheptylethyl]-4,4-dimethylhexanamide
CID 81393462
3-amino-N-[(1R)-1-cyclopentylethyl]-3-methylbutanamide
CID 81390694
2-amino-N-[(1S)-1-cyclohexylethyl]-3,3-dimethylbutanamide
CID 103930317
2-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide
CID 81386609
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
3-amino-N-[(1R)-1-cyclopentylethyl]-2-methylpropanamide
CID 81390273
2-cyano-N-(1-cyclohexylethyl)-2-ethylbutanamide
CID 55068978

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1S)-1-cycloheptylethyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-[(1S)-1-cycloheptylethyl]-2,2-dimethylpropanamide (CID 115426905) is 3-amino-N-[(1S)-1-cycloheptylethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-[(1S)-1-cycloheptylethyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-[(1S)-1-cycloheptylethyl]-2,2-dimethylpropanamide is C[C@H](NC(=O)C(C)(C)CN)C1CCCCCC1.
What is the InChIKey of 3-amino-N-[(1S)-1-cycloheptylethyl]-2,2-dimethylpropanamide?
The InChIKey is XZNJHVXBCRZVHV-NSHDSACASA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(12-8-6-4-5-7-9-12)16-13(17)14(2,3)10-15/h11-12H,4-10,15H2,1-3H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 3-amino-N-[(1S)-1-cycloheptylethyl]-2,2-dimethylpropanamide?
3-amino-N-[(1S)-1-cycloheptylethyl]-2,2-dimethylpropanamide has a molecular weight of 240.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1S)-1-cycloheptylethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 115426905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).