2-[[1-(aminomethyl)cyclopentyl]amino]benzamide

C13H19N3O — CID 63887827

IUPAC2-[[1-(aminomethyl)cyclopentyl]amino]benzamide
SMILESNCC1(Nc2ccccc2C(N)=O)CCCC1
InChIInChI=1S/C13H19N3O/c14-9-13(7-3-4-8-13)16-11-6-2-1-5-10(11)12(15)17/h1-2,5-6,16H,3-4,7-9,14H2,(H2,15,17)
InChIKeyHWXKSCGTWJRFHI-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.47
Rot. Bonds4

About 2-[[1-(aminomethyl)cyclopentyl]amino]benzamide

2-[[1-(aminomethyl)cyclopentyl]amino]benzamide (PubChem CID 63887827) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cyclopentyl]amino]benzamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cyclopentyl]amino]benzamide
PubChem CID63887827
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-[[1-(aminomethyl)cyclopentyl]amino]benzamide
SMILESNCC1(Nc2ccccc2C(N)=O)CCCC1
InChIInChI=1S/C13H19N3O/c14-9-13(7-3-4-8-13)16-11-6-2-1-5-10(11)12(15)17/h1-2,5-6,16H,3-4,7-9,14H2,(H2,15,17)
InChIKeyHWXKSCGTWJRFHI-UHFFFAOYSA-N
XLogP1.47
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

CID 94411
CID 94411
CID 713136
CID 713136
CID 78142
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CID 26008
CID 26008
CID 201327
CID 201327
CID 2797236
CID 2797236
CID 3725575
CID 3725575
CID 101222
CID 101222
CID 118553
CID 118553
CID 21306
CID 21306
CID 230755
CID 230755
CID 308072
CID 308072

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cyclopentyl]amino]benzamide?
The IUPAC name of 2-[[1-(aminomethyl)cyclopentyl]amino]benzamide (CID 63887827) is 2-[[1-(aminomethyl)cyclopentyl]amino]benzamide.
What is the SMILES notation for 2-[[1-(aminomethyl)cyclopentyl]amino]benzamide?
The canonical SMILES for 2-[[1-(aminomethyl)cyclopentyl]amino]benzamide is NCC1(Nc2ccccc2C(N)=O)CCCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cyclopentyl]amino]benzamide?
The InChIKey is HWXKSCGTWJRFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-9-13(7-3-4-8-13)16-11-6-2-1-5-10(11)12(15)17/h1-2,5-6,16H,3-4,7-9,14H2,(H2,15,17).
What are the key properties of 2-[[1-(aminomethyl)cyclopentyl]amino]benzamide?
2-[[1-(aminomethyl)cyclopentyl]amino]benzamide has a molecular weight of 233.31 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cyclopentyl]amino]benzamide is sourced from PubChem (CID 63887827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).