N-[(1R,3S)-3-methylcyclohexyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide

C13H22N2O — CID 141395665

IUPACN-[(1R,3S)-3-methylcyclohexyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESC[C@H]1CCC[C@@H](NC(=O)C2CC3CN3C2)C1
InChIInChI=1S/C13H22N2O/c1-9-3-2-4-11(5-9)14-13(16)10-6-12-8-15(12)7-10/h9-12H,2-8H2,1H3,(H,14,16)/t9-,10?,11+,12?,15?/m0/s1
InChIKeyIEUFAUWQKPMOBQ-DNHIIJNJSA-N
MW222.33 g/mol
LogP1.39
Rot. Bonds2

About N-[(1R,3S)-3-methylcyclohexyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide

N-[(1R,3S)-3-methylcyclohexyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 141395665) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[(1R,3S)-3-methylcyclohexyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-methylcyclohexyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID141395665
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[(1R,3S)-3-methylcyclohexyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESC[C@H]1CCC[C@@H](NC(=O)C2CC3CN3C2)C1
InChIInChI=1S/C13H22N2O/c1-9-3-2-4-11(5-9)14-13(16)10-6-12-8-15(12)7-10/h9-12H,2-8H2,1H3,(H,14,16)/t9-,10?,11+,12?,15?/m0/s1
InChIKeyIEUFAUWQKPMOBQ-DNHIIJNJSA-N
XLogP1.39
TPSA32.11 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-[(1R,3S)-3-methylcyclohexyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,3R)-3-methoxycyclopentyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide
CID 141395659
N-[(1S,3S)-3-methoxycyclopentyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide
CID 141395652
(3R)-3-N-[(1R,3R)-3-methylcyclohexyl]piperidine-1,3-dicarboxamide
CID 32567673
N-[(3S)-3-methylcyclohexyl]acetamide
CID 143244343
(3-methylcyclohexyl)carbamic acid
CID 67410451
ethane;N-(3-methylcyclohexyl)acetamide
CID 156753874
2-methyl-N-(3-methylcyclohexyl)propanamide
CID 60739958
(3-methylcycloheptyl)carbamic acid
CID 143291001
cis-(1S,3R)-3-methylcyclohexane-1-carboxylic acid;N-[(1S,3R)-3-methylcyclohexyl]acetamide
CID 158462495
3-N-(3-methylcyclopentyl)piperidine-1,3-dicarboxamide
CID 114550176
3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid
CID 62229888
4-hydroxy-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 43317965

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-methylcyclohexyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-[(1R,3S)-3-methylcyclohexyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide (CID 141395665) is N-[(1R,3S)-3-methylcyclohexyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-[(1R,3S)-3-methylcyclohexyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-[(1R,3S)-3-methylcyclohexyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide is C[C@H]1CCC[C@@H](NC(=O)C2CC3CN3C2)C1.
What is the InChIKey of N-[(1R,3S)-3-methylcyclohexyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is IEUFAUWQKPMOBQ-DNHIIJNJSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9-3-2-4-11(5-9)14-13(16)10-6-12-8-15(12)7-10/h9-12H,2-8H2,1H3,(H,14,16)/t9-,10?,11+,12?,15?/m0/s1.
What are the key properties of N-[(1R,3S)-3-methylcyclohexyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide?
N-[(1R,3S)-3-methylcyclohexyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-methylcyclohexyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 141395665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).