2-[3-(aminomethyl)pentan-3-ylamino]benzamide

C13H21N3O — CID 63886829

IUPAC2-[3-(aminomethyl)pentan-3-ylamino]benzamide
SMILESCCC(CC)(CN)Nc1ccccc1C(N)=O
InChIInChI=1S/C13H21N3O/c1-3-13(4-2,9-14)16-11-8-6-5-7-10(11)12(15)17/h5-8,16H,3-4,9,14H2,1-2H3,(H2,15,17)
InChIKeyHQAVHQJKVSGJJW-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.71
Rot. Bonds6

About 2-[3-(aminomethyl)pentan-3-ylamino]benzamide

2-[3-(aminomethyl)pentan-3-ylamino]benzamide (PubChem CID 63886829) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pentan-3-ylamino]benzamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pentan-3-ylamino]benzamide
PubChem CID63886829
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[3-(aminomethyl)pentan-3-ylamino]benzamide
SMILESCCC(CC)(CN)Nc1ccccc1C(N)=O
InChIInChI=1S/C13H21N3O/c1-3-13(4-2,9-14)16-11-8-6-5-7-10(11)12(15)17/h5-8,16H,3-4,9,14H2,1-2H3,(H2,15,17)
InChIKeyHQAVHQJKVSGJJW-UHFFFAOYSA-N
XLogP1.71
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)pentan-3-ylamino]-5-chlorobenzamide
CID 63887425
2-(3-ethylpentan-3-ylamino)benzenecarbothioamide
CID 65043708
2-[(2-amino-2-ethylbutyl)amino]benzamide
CID 113283240
2-(2,2-dimethylbutanoylamino)benzamide
CID 3914045
2-(3-hydroxypentan-3-ylamino)benzoic acid
CID 175069795
2-(cyanomethylamino)benzamide
CID 3086271
2-(3-aminopropanoylamino)benzamide
CID 22692052
2-(chloroamino)benzamide
CID 54562633
2-(1-aminopropan-2-ylamino)benzamide
CID 63733598
2-[(1-amino-3,3-dimethylbutan-2-yl)amino]benzamide
CID 114208165
2-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]benzamide
CID 107865413
2-(2-ethylbutanoylamino)benzamide
CID 1214109

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pentan-3-ylamino]benzamide?
The IUPAC name of 2-[3-(aminomethyl)pentan-3-ylamino]benzamide (CID 63886829) is 2-[3-(aminomethyl)pentan-3-ylamino]benzamide.
What is the SMILES notation for 2-[3-(aminomethyl)pentan-3-ylamino]benzamide?
The canonical SMILES for 2-[3-(aminomethyl)pentan-3-ylamino]benzamide is CCC(CC)(CN)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[3-(aminomethyl)pentan-3-ylamino]benzamide?
The InChIKey is HQAVHQJKVSGJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-13(4-2,9-14)16-11-8-6-5-7-10(11)12(15)17/h5-8,16H,3-4,9,14H2,1-2H3,(H2,15,17).
What are the key properties of 2-[3-(aminomethyl)pentan-3-ylamino]benzamide?
2-[3-(aminomethyl)pentan-3-ylamino]benzamide has a molecular weight of 235.33 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pentan-3-ylamino]benzamide is sourced from PubChem (CID 63886829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).