N-[(1S,3R)-3-aminocyclohexyl]benzamide

C13H18N2O — CID 70821895

IUPACN-[(1S,3R)-3-aminocyclohexyl]benzamide
SMILESN[C@@H]1CCC[C@H](NC(=O)c2ccccc2)C1
InChIInChI=1S/C13H18N2O/c14-11-7-4-8-12(9-11)15-13(16)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,14H2,(H,15,16)/t11-,12+/m1/s1
InChIKeyJJAKFXPWPQZXQQ-NEPJUHHUSA-N
MW218.30 g/mol
LogP1.69
Rot. Bonds2

About N-[(1S,3R)-3-aminocyclohexyl]benzamide

N-[(1S,3R)-3-aminocyclohexyl]benzamide (PubChem CID 70821895) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[(1S,3R)-3-aminocyclohexyl]benzamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-aminocyclohexyl]benzamide
PubChem CID70821895
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[(1S,3R)-3-aminocyclohexyl]benzamide
SMILESN[C@@H]1CCC[C@H](NC(=O)c2ccccc2)C1
InChIInChI=1S/C13H18N2O/c14-11-7-4-8-12(9-11)15-13(16)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,14H2,(H,15,16)/t11-,12+/m1/s1
InChIKeyJJAKFXPWPQZXQQ-NEPJUHHUSA-N
XLogP1.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminocyclobutyl)benzamide
CID 43594893
N-[(1R,3S)-3-fluorocyclohexyl]benzamide
CID 162413699
[(1S,3R)-3-benzamidocyclohexyl]methyl-methylborinic acid
CID 167658164
N-[(1R,3S)-3-aminocyclohexyl]benzamide;N-[(1R,3S)-3-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]benzamide;4-chloro-2,6-bis(trifluoromethyl)pyridine;hydrochloride
CID 167626053
N-(3-aminocyclohexyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 155298542
N-(3-bromocyclopentyl)benzamide
CID 175209749
N-[(1R,3R)-3-fluorocyclopentyl]benzamide
CID 129348896
N-[(1S,3S)-3-fluorocyclopentyl]benzamide
CID 129348898
N-(4-cyclohexylcyclooctyl)benzamide
CID 166761299
2-[(3-aminocyclohexyl)amino]-2-oxoacetic acid
CID 130620105
benzene-1,3-dicarbonyl chloride;cyclohexanamine;1-N,3-N-dicyclohexylbenzene-1,3-dicarboxamide
CID 157227536
4-benzamido-N-cyclopentylbenzamide
CID 1262350

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-aminocyclohexyl]benzamide?
The IUPAC name of N-[(1S,3R)-3-aminocyclohexyl]benzamide (CID 70821895) is N-[(1S,3R)-3-aminocyclohexyl]benzamide.
What is the SMILES notation for N-[(1S,3R)-3-aminocyclohexyl]benzamide?
The canonical SMILES for N-[(1S,3R)-3-aminocyclohexyl]benzamide is N[C@@H]1CCC[C@H](NC(=O)c2ccccc2)C1.
What is the InChIKey of N-[(1S,3R)-3-aminocyclohexyl]benzamide?
The InChIKey is JJAKFXPWPQZXQQ-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H18N2O/c14-11-7-4-8-12(9-11)15-13(16)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,14H2,(H,15,16)/t11-,12+/m1/s1.
What are the key properties of N-[(1S,3R)-3-aminocyclohexyl]benzamide?
N-[(1S,3R)-3-aminocyclohexyl]benzamide has a molecular weight of 218.30 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-aminocyclohexyl]benzamide is sourced from PubChem (CID 70821895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).