3,5-diamino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide

C15H26N4O — CID 61116865

IUPAC3,5-diamino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CCN(C)C)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C15H26N4O/c1-11(2)10-19(6-5-18(3)4)15(20)12-7-13(16)9-14(17)8-12/h7-9,11H,5-6,10,16-17H2,1-4H3
InChIKeyDCXRVWREMASGGP-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.51
Rot. Bonds6

About 3,5-diamino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide

3,5-diamino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide (PubChem CID 61116865) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3,5-diamino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
PubChem CID61116865
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3,5-diamino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CCN(C)C)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C15H26N4O/c1-11(2)10-19(6-5-18(3)4)15(20)12-7-13(16)9-14(17)8-12/h7-9,11H,5-6,10,16-17H2,1-4H3
InChIKeyDCXRVWREMASGGP-UHFFFAOYSA-N
XLogP1.51
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5-diamino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide 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

N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-(2-methylpropyl)benzamide
CID 63188458
4-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(2-methylpropyl)benzamide
CID 60954175
5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 61289863
3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63694073
ethyl 2-[(3,5-diaminobenzoyl)-(2-methylpropyl)amino]acetate
CID 61105851
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103763054
2-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 61053425
2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
CID 61115159
4,5-dibromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 78968207
2-amino-5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62160177
3-amino-N-[2-(dimethylamino)ethyl]-5-methoxy-N-propylbenzamide
CID 81089994
4-amino-3,5-difluoro-N,N-bis(2-methylpropyl)benzamide
CID 63185021

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 3,5-diamino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide (CID 61116865) is 3,5-diamino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3,5-diamino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3,5-diamino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide is CC(C)CN(CCN(C)C)C(=O)c1cc(N)cc(N)c1.
What is the InChIKey of 3,5-diamino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide?
The InChIKey is DCXRVWREMASGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)10-19(6-5-18(3)4)15(20)12-7-13(16)9-14(17)8-12/h7-9,11H,5-6,10,16-17H2,1-4H3.
What are the key properties of 3,5-diamino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide?
3,5-diamino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide has a molecular weight of 278.40 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 61116865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).