1-N-(2-amino-4-methylpentyl)-4-N,4-N-diethylbenzene-1,4-diamine

C16H29N3 — CID 83962963

IUPAC1-N-(2-amino-4-methylpentyl)-4-N,4-N-diethylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(NCC(N)CC(C)C)cc1
InChIInChI=1S/C16H29N3/c1-5-19(6-2)16-9-7-15(8-10-16)18-12-14(17)11-13(3)4/h7-10,13-14,18H,5-6,11-12,17H2,1-4H3
InChIKeyGRRWYDCWDZSQLX-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.32
Rot. Bonds8

About 1-N-(2-amino-4-methylpentyl)-4-N,4-N-diethylbenzene-1,4-diamine

1-N-(2-amino-4-methylpentyl)-4-N,4-N-diethylbenzene-1,4-diamine (PubChem CID 83962963) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-N-(2-amino-4-methylpentyl)-4-N,4-N-diethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-amino-4-methylpentyl)-4-N,4-N-diethylbenzene-1,4-diamine
PubChem CID83962963
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-N-(2-amino-4-methylpentyl)-4-N,4-N-diethylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(NCC(N)CC(C)C)cc1
InChIInChI=1S/C16H29N3/c1-5-19(6-2)16-9-7-15(8-10-16)18-12-14(17)11-13(3)4/h7-10,13-14,18H,5-6,11-12,17H2,1-4H3
InChIKeyGRRWYDCWDZSQLX-UHFFFAOYSA-N
XLogP3.32
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-N-(2-amino-4-methylpentyl)-4-N,4-N-diethylbenzene-1,4-diamine 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

4-N,4-N-diethyl-1-N-(4-methylpentan-2-yl)benzene-1,4-diamine
CID 43680171
3-[4-(diethylamino)anilino]-2-methylpropanoic acid
CID 63179842
4-[(1S)-1-amino-3-methylbutyl]-N,N-diethylaniline;hydrochloride
CID 171227543
1-N-[3-(diethylaminomethyl)phenyl]-4-methylpentane-1,2-diamine
CID 83962592
4-[(2-amino-4-methylpentyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 107159243
1-N-[2-(4-chlorophenoxy)propyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 54796252
1-N-(2,2-dimethylpropyl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 54796313
4-methyl-1-N-(3-methylphenyl)pentane-1,2-diamine
CID 83945325
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
2-[4-(diethylamino)anilino]acetonitrile
CID 63180222
2-[4-(diethylamino)anilino]ethanethiol
CID 83962996
2-[[4-(diethylamino)anilino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367269

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-amino-4-methylpentyl)-4-N,4-N-diethylbenzene-1,4-diamine?
The IUPAC name of 1-N-(2-amino-4-methylpentyl)-4-N,4-N-diethylbenzene-1,4-diamine (CID 83962963) is 1-N-(2-amino-4-methylpentyl)-4-N,4-N-diethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2-amino-4-methylpentyl)-4-N,4-N-diethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(2-amino-4-methylpentyl)-4-N,4-N-diethylbenzene-1,4-diamine is CCN(CC)c1ccc(NCC(N)CC(C)C)cc1.
What is the InChIKey of 1-N-(2-amino-4-methylpentyl)-4-N,4-N-diethylbenzene-1,4-diamine?
The InChIKey is GRRWYDCWDZSQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-19(6-2)16-9-7-15(8-10-16)18-12-14(17)11-13(3)4/h7-10,13-14,18H,5-6,11-12,17H2,1-4H3.
What are the key properties of 1-N-(2-amino-4-methylpentyl)-4-N,4-N-diethylbenzene-1,4-diamine?
1-N-(2-amino-4-methylpentyl)-4-N,4-N-diethylbenzene-1,4-diamine has a molecular weight of 263.43 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-amino-4-methylpentyl)-4-N,4-N-diethylbenzene-1,4-diamine is sourced from PubChem (CID 83962963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).