2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide

C15H23N3O2 — CID 103965171

IUPAC2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
SMILESNc1ccc(C(=O)NCC2(CO)CCCCC2)c(N)c1
InChIInChI=1S/C15H23N3O2/c16-11-4-5-12(13(17)8-11)14(20)18-9-15(10-19)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7,9-10,16-17H2,(H,18,20)
InChIKeyZDESNWJLRKUFSF-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.52
Rot. Bonds4

About 2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide

2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide (PubChem CID 103965171) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
PubChem CID103965171
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
SMILESNc1ccc(C(=O)NCC2(CO)CCCCC2)c(N)c1
InChIInChI=1S/C15H23N3O2/c16-11-4-5-12(13(17)8-11)14(20)18-9-15(10-19)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7,9-10,16-17H2,(H,18,20)
InChIKeyZDESNWJLRKUFSF-UHFFFAOYSA-N
XLogP1.52
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.52
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-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide
CID 103965180
4-amino-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357733
5-amino-2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357710
5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357739
5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
CID 115357784
2-amino-4-fluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 113313360
2-amino-5-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103967454
4-amino-N-ethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 115358011
2-(3-aminophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 103965193
5-amino-2,3-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 107185637
4-amino-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 115358089
4-fluoro-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103830141

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
The IUPAC name of 2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide (CID 103965171) is 2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
The canonical SMILES for 2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide is Nc1ccc(C(=O)NCC2(CO)CCCCC2)c(N)c1.
What is the InChIKey of 2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
The InChIKey is ZDESNWJLRKUFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-11-4-5-12(13(17)8-11)14(20)18-9-15(10-19)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7,9-10,16-17H2,(H,18,20).
What are the key properties of 2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.52, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 103965171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).