6-amino-N-[(1S)-1-cycloheptylethyl]-4,4-dimethylhexanamide

C17H34N2O — CID 81393462

IUPAC6-amino-N-[(1S)-1-cycloheptylethyl]-4,4-dimethylhexanamide
SMILESC[C@H](NC(=O)CCC(C)(C)CCN)C1CCCCCC1
InChIInChI=1S/C17H34N2O/c1-14(15-8-6-4-5-7-9-15)19-16(20)10-11-17(2,3)12-13-18/h14-15H,4-13,18H2,1-3H3,(H,19,20)/t14-/m0/s1
InChIKeyCKSUDJFSXARDCC-AWEZNQCLSA-N
MW282.47 g/mol
LogP3.62
Rot. Bonds7

About 6-amino-N-[(1S)-1-cycloheptylethyl]-4,4-dimethylhexanamide

6-amino-N-[(1S)-1-cycloheptylethyl]-4,4-dimethylhexanamide (PubChem CID 81393462) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 6-amino-N-[(1S)-1-cycloheptylethyl]-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-[(1S)-1-cycloheptylethyl]-4,4-dimethylhexanamide
PubChem CID81393462
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name6-amino-N-[(1S)-1-cycloheptylethyl]-4,4-dimethylhexanamide
SMILESC[C@H](NC(=O)CCC(C)(C)CCN)C1CCCCCC1
InChIInChI=1S/C17H34N2O/c1-14(15-8-6-4-5-7-9-15)19-16(20)10-11-17(2,3)12-13-18/h14-15H,4-13,18H2,1-3H3,(H,19,20)/t14-/m0/s1
InChIKeyCKSUDJFSXARDCC-AWEZNQCLSA-N
XLogP3.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
6-amino-N-(1-cyclohexylethyl)hexanamide
CID 55069317
2-amino-N-[(1R)-1-cyclohexylethyl]acetamide
CID 81386621
5-amino-N-(1-cyclohexylethyl)-4-methylpentanamide
CID 82011673
6-amino-N-[(1R)-1-cyclopentylethyl]-4-methylhexanamide
CID 81390503
N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide
CID 102132492
3-(tert-butylamino)-N-(1-cyclohexylethyl)propanamide
CID 62407749
3-amino-N-[(1R)-1-cycloheptylethyl]-3-methylbutanamide
CID 81393226
4-[[(1R)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81390074
3-chloro-N-[(1S)-1-cycloheptylethyl]propanamide
CID 81391715
4-[[(1S)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81388914
N-[(1S)-1-cyclohexylethyl]-3-piperidin-4-ylpropanamide
CID 81386056

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(1S)-1-cycloheptylethyl]-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-[(1S)-1-cycloheptylethyl]-4,4-dimethylhexanamide (CID 81393462) is 6-amino-N-[(1S)-1-cycloheptylethyl]-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-[(1S)-1-cycloheptylethyl]-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-[(1S)-1-cycloheptylethyl]-4,4-dimethylhexanamide is C[C@H](NC(=O)CCC(C)(C)CCN)C1CCCCCC1.
What is the InChIKey of 6-amino-N-[(1S)-1-cycloheptylethyl]-4,4-dimethylhexanamide?
The InChIKey is CKSUDJFSXARDCC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H34N2O/c1-14(15-8-6-4-5-7-9-15)19-16(20)10-11-17(2,3)12-13-18/h14-15H,4-13,18H2,1-3H3,(H,19,20)/t14-/m0/s1.
What are the key properties of 6-amino-N-[(1S)-1-cycloheptylethyl]-4,4-dimethylhexanamide?
6-amino-N-[(1S)-1-cycloheptylethyl]-4,4-dimethylhexanamide has a molecular weight of 282.47 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(1S)-1-cycloheptylethyl]-4,4-dimethylhexanamide is sourced from PubChem (CID 81393462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).