5-[[2-(aminomethyl)-3-methylbutyl]amino]benzene-1,3-dicarboxamide

C14H22N4O2 — CID 107441237

IUPAC5-[[2-(aminomethyl)-3-methylbutyl]amino]benzene-1,3-dicarboxamide
SMILESCC(C)C(CN)CNc1cc(C(N)=O)cc(C(N)=O)c1
InChIInChI=1S/C14H22N4O2/c1-8(2)11(6-15)7-18-12-4-9(13(16)19)3-10(5-12)14(17)20/h3-5,8,11,18H,6-7,15H2,1-2H3,(H2,16,19)(H2,17,20)
InChIKeySRNPXWSDNCVOMC-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.53
Rot. Bonds7

About 5-[[2-(aminomethyl)-3-methylbutyl]amino]benzene-1,3-dicarboxamide

5-[[2-(aminomethyl)-3-methylbutyl]amino]benzene-1,3-dicarboxamide (PubChem CID 107441237) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-[[2-(aminomethyl)-3-methylbutyl]amino]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[[2-(aminomethyl)-3-methylbutyl]amino]benzene-1,3-dicarboxamide
PubChem CID107441237
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name5-[[2-(aminomethyl)-3-methylbutyl]amino]benzene-1,3-dicarboxamide
SMILESCC(C)C(CN)CNc1cc(C(N)=O)cc(C(N)=O)c1
InChIInChI=1S/C14H22N4O2/c1-8(2)11(6-15)7-18-12-4-9(13(16)19)3-10(5-12)14(17)20/h3-5,8,11,18H,6-7,15H2,1-2H3,(H2,16,19)(H2,17,20)
InChIKeySRNPXWSDNCVOMC-UHFFFAOYSA-N
XLogP0.53
TPSA124.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-[[2-(aminomethyl)-3-methylbutyl]amino]benzene-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(aminomethyl)-3-methylbutyl]amino]-5-fluoro-4-methylbenzamide
CID 107441736
3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzamide
CID 107441566
5-(1-aminopropan-2-ylamino)benzene-1,3-dicarboxamide
CID 103387595
methyl N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]carbamate
CID 107441699
3-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenoxy]propanamide
CID 107441432
3-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylbenzenesulfonamide
CID 107441517
N'-(3,4-difluorophenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441027
3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzoic acid
CID 107441688
2-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 107440958
N'-(3-bromo-5-methoxyphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107442609
5-(4-methylpentan-2-ylamino)benzene-1,3-dicarboxamide
CID 43206249
N-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]methanesulfonamide
CID 107441669

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(aminomethyl)-3-methylbutyl]amino]benzene-1,3-dicarboxamide?
The IUPAC name of 5-[[2-(aminomethyl)-3-methylbutyl]amino]benzene-1,3-dicarboxamide (CID 107441237) is 5-[[2-(aminomethyl)-3-methylbutyl]amino]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[[2-(aminomethyl)-3-methylbutyl]amino]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-[[2-(aminomethyl)-3-methylbutyl]amino]benzene-1,3-dicarboxamide is CC(C)C(CN)CNc1cc(C(N)=O)cc(C(N)=O)c1.
What is the InChIKey of 5-[[2-(aminomethyl)-3-methylbutyl]amino]benzene-1,3-dicarboxamide?
The InChIKey is SRNPXWSDNCVOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-8(2)11(6-15)7-18-12-4-9(13(16)19)3-10(5-12)14(17)20/h3-5,8,11,18H,6-7,15H2,1-2H3,(H2,16,19)(H2,17,20).
What are the key properties of 5-[[2-(aminomethyl)-3-methylbutyl]amino]benzene-1,3-dicarboxamide?
5-[[2-(aminomethyl)-3-methylbutyl]amino]benzene-1,3-dicarboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.53, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(aminomethyl)-3-methylbutyl]amino]benzene-1,3-dicarboxamide is sourced from PubChem (CID 107441237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).