4-amino-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide

C14H21N3O2 — CID 115358089

IUPAC4-amino-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
SMILESNC(=O)c1ccc(N)cc1NCC1(CO)CCCC1
InChIInChI=1S/C14H21N3O2/c15-10-3-4-11(13(16)19)12(7-10)17-8-14(9-18)5-1-2-6-14/h3-4,7,17-18H,1-2,5-6,8-9,15H2,(H2,16,19)
InChIKeyCMBASYIZOLESCE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.33
Rot. Bonds5

About 4-amino-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide

4-amino-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide (PubChem CID 115358089) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-amino-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide.

Molecular Properties

Compound Name4-amino-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
PubChem CID115358089
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-amino-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
SMILESNC(=O)c1ccc(N)cc1NCC1(CO)CCCC1
InChIInChI=1S/C14H21N3O2/c15-10-3-4-11(13(16)19)12(7-10)17-8-14(9-18)5-1-2-6-14/h3-4,7,17-18H,1-2,5-6,8-9,15H2,(H2,16,19)
InChIKeyCMBASYIZOLESCE-UHFFFAOYSA-N
XLogP1.33
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-ethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 115358011
[1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol
CID 115358022
2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103965171
4-amino-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357733
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbenzamide
CID 81413360
4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide
CID 103965180
5-amino-2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357710
[1-[(4-aminoanilino)methyl]cyclohexyl]methanol
CID 103965357
5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357739
5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
CID 115357784
2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-4-methoxybenzoic acid
CID 103968378
2,3-difluoro-4-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzoic acid
CID 103967280

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide?
The IUPAC name of 4-amino-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide (CID 115358089) is 4-amino-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide.
What is the SMILES notation for 4-amino-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide?
The canonical SMILES for 4-amino-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide is NC(=O)c1ccc(N)cc1NCC1(CO)CCCC1.
What is the InChIKey of 4-amino-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide?
The InChIKey is CMBASYIZOLESCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-10-3-4-11(13(16)19)12(7-10)17-8-14(9-18)5-1-2-6-14/h3-4,7,17-18H,1-2,5-6,8-9,15H2,(H2,16,19).
What are the key properties of 4-amino-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide?
4-amino-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.33, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide is sourced from PubChem (CID 115358089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).