N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide

C13H18N2O — CID 94903786

IUPACN-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
SMILESNC[C@H]1CCC[C@@H]1NC(=O)c1ccccc1
InChIInChI=1S/C13H18N2O/c14-9-11-7-4-8-12(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
InChIKeyNIJQILQTVXBQMS-NEPJUHHUSA-N
MW218.30 g/mol
LogP1.54
Rot. Bonds3

About N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide

N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide (PubChem CID 94903786) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
PubChem CID94903786
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
SMILESNC[C@H]1CCC[C@@H]1NC(=O)c1ccccc1
InChIInChI=1S/C13H18N2O/c14-9-11-7-4-8-12(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
InChIKeyNIJQILQTVXBQMS-NEPJUHHUSA-N
XLogP1.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride
CID 119603744
N-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride
CID 119600470
N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106365726
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
N-[2-(aminomethyl)cyclopentyl]-3-benzamido-4-methylbenzamide
CID 119603863
N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
CID 119603540
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]benzamide;hydrochloride
CID 119611319
N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide
CID 119601722
N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropanecarbonylamino)benzamide
CID 119604775
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853
N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 36691439

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide?
The IUPAC name of N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide (CID 94903786) is N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide.
What is the SMILES notation for N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide?
The canonical SMILES for N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide is NC[C@H]1CCC[C@@H]1NC(=O)c1ccccc1.
What is the InChIKey of N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide?
The InChIKey is NIJQILQTVXBQMS-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H18N2O/c14-9-11-7-4-8-12(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,2R)-2-(aminomethyl)cyclopentyl]benzamide?
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide has a molecular weight of 218.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide is sourced from PubChem (CID 94903786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).