N-[(1R,3S)-3-(propan-2-ylamino)cyclohexyl]acetamide

C11H22N2O — CID 139573748

IUPACN-[(1R,3S)-3-(propan-2-ylamino)cyclohexyl]acetamide
SMILESCC(=O)N[C@@H]1CCC[C@H](NC(C)C)C1
InChIInChI=1S/C11H22N2O/c1-8(2)12-10-5-4-6-11(7-10)13-9(3)14/h8,10-12H,4-7H2,1-3H3,(H,13,14)/t10-,11+/m0/s1
InChIKeyWHPGCCSNKWLMPK-WDEREUQCSA-N
MW198.31 g/mol
LogP1.43
Rot. Bonds3

About N-[(1R,3S)-3-(propan-2-ylamino)cyclohexyl]acetamide

N-[(1R,3S)-3-(propan-2-ylamino)cyclohexyl]acetamide (PubChem CID 139573748) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[(1R,3S)-3-(propan-2-ylamino)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-(propan-2-ylamino)cyclohexyl]acetamide
PubChem CID139573748
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[(1R,3S)-3-(propan-2-ylamino)cyclohexyl]acetamide
SMILESCC(=O)N[C@@H]1CCC[C@H](NC(C)C)C1
InChIInChI=1S/C11H22N2O/c1-8(2)12-10-5-4-6-11(7-10)13-9(3)14/h8,10-12H,4-7H2,1-3H3,(H,13,14)/t10-,11+/m0/s1
InChIKeyWHPGCCSNKWLMPK-WDEREUQCSA-N
XLogP1.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-3-methylcyclohexyl]acetamide
CID 143244343
N-[(1R,3S)-3-hydroxycyclohexyl]acetamide
CID 121286290
N-[(1R,3R)-3-hydroxycyclohexyl]acetamide
CID 130005028
ethane;N-(3-methylcyclohexyl)acetamide
CID 156753874
cis-(1S,3R)-3-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 95363190
N-[(1R,3S)-3-(methylamino)cyclopentyl]acetamide
CID 139574017
N-[(3aR,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]acetamide
CID 131102398
N-[3-(2-methylbutyl)cyclohexyl]acetamide
CID 142366490
N-[3-(bromomethyl)cyclohexyl]acetamide
CID 130538222
N-(3-propan-2-ylcyclobutyl)acetamide
CID 59410589
1-N,3-N,5-N-tri(propan-2-yl)cyclohexane-1,3,5-triamine
CID 101492125
trans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 58431127

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-(propan-2-ylamino)cyclohexyl]acetamide?
The IUPAC name of N-[(1R,3S)-3-(propan-2-ylamino)cyclohexyl]acetamide (CID 139573748) is N-[(1R,3S)-3-(propan-2-ylamino)cyclohexyl]acetamide.
What is the SMILES notation for N-[(1R,3S)-3-(propan-2-ylamino)cyclohexyl]acetamide?
The canonical SMILES for N-[(1R,3S)-3-(propan-2-ylamino)cyclohexyl]acetamide is CC(=O)N[C@@H]1CCC[C@H](NC(C)C)C1.
What is the InChIKey of N-[(1R,3S)-3-(propan-2-ylamino)cyclohexyl]acetamide?
The InChIKey is WHPGCCSNKWLMPK-WDEREUQCSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)12-10-5-4-6-11(7-10)13-9(3)14/h8,10-12H,4-7H2,1-3H3,(H,13,14)/t10-,11+/m0/s1.
What are the key properties of N-[(1R,3S)-3-(propan-2-ylamino)cyclohexyl]acetamide?
N-[(1R,3S)-3-(propan-2-ylamino)cyclohexyl]acetamide has a molecular weight of 198.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-(propan-2-ylamino)cyclohexyl]acetamide is sourced from PubChem (CID 139573748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).