4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide

C14H23N3O — CID 122080936

IUPAC4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc(N)cc1
InChIInChI=1S/C14H23N3O/c1-10(2)13(16)8-9-17(3)14(18)11-4-6-12(15)7-5-11/h4-7,10,13H,8-9,15-16H2,1-3H3
InChIKeyLJDNGWAATTVYAW-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.71
Rot. Bonds5

About 4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide

4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide (PubChem CID 122080936) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
PubChem CID122080936
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc(N)cc1
InChIInChI=1S/C14H23N3O/c1-10(2)13(16)8-9-17(3)14(18)11-4-6-12(15)7-5-11/h4-7,10,13H,8-9,15-16H2,1-3H3
InChIKeyLJDNGWAATTVYAW-UHFFFAOYSA-N
XLogP1.71
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
CID 119657274
N-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 81487190
N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride
CID 119658927
N-(3-amino-4-methylpentyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride
CID 119657613
N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide
CID 107705211
N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethyl)sulfonyl-N-methylbenzamide;hydrochloride
CID 119658844
N-(3-amino-4-methylpentyl)-4-imidazol-1-yl-N-methylbenzamide
CID 119659188
N-(3-amino-4-methylpentyl)-N-methyl-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
CID 119660257
4-amino-N-(2-dimethylarsanylethyl)-N-methylbenzamide
CID 175266582
N-(3-amino-4-methylpentyl)-N-methyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711691
N-(3-amino-4-methylpentyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119657579

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide?
The IUPAC name of 4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide (CID 122080936) is 4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide.
What is the SMILES notation for 4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide?
The canonical SMILES for 4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide is CC(C)C(N)CCN(C)C(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide?
The InChIKey is LJDNGWAATTVYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)13(16)8-9-17(3)14(18)11-4-6-12(15)7-5-11/h4-7,10,13H,8-9,15-16H2,1-3H3.
What are the key properties of 4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide?
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide has a molecular weight of 249.36 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide is sourced from PubChem (CID 122080936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).