4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine

C13H23N3 — CID 106036365

IUPAC4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine
SMILESCC(C)N(C)CCCNc1ccc(N)cc1
InChIInChI=1S/C13H23N3/c1-11(2)16(3)10-4-9-15-13-7-5-12(14)6-8-13/h5-8,11,15H,4,9-10,14H2,1-3H3
InChIKeyZIDOEBADTYWXQR-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.41
Rot. Bonds6

About 4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine

4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine (PubChem CID 106036365) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine
PubChem CID106036365
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine
SMILESCC(C)N(C)CCCNc1ccc(N)cc1
InChIInChI=1S/C13H23N3/c1-11(2)16(3)10-4-9-15-13-7-5-12(14)6-8-13/h5-8,11,15H,4,9-10,14H2,1-3H3
InChIKeyZIDOEBADTYWXQR-UHFFFAOYSA-N
XLogP2.41
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide
CID 106048559
2-methoxy-4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine
CID 106036754
2-amino-5-[3-[methyl(propan-2-yl)amino]propylamino]benzonitrile
CID 114139297
N'-methyl-N-naphthalen-2-yl-N'-propan-2-ylpropane-1,3-diamine
CID 106048462
methyl 2-amino-5-[3-[methyl(propan-2-yl)amino]propylamino]benzoate
CID 106039570
5-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3,5-diamine
CID 104534054
4-N-(6-methylheptyl)benzene-1,4-diamine
CID 141141781
5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106034479
4-N-[3-[4-(ethylamino)anilino]propyl]benzene-1,4-diamine
CID 163689454
4-N-[3-[methyl(propan-2-yl)amino]propyl]quinazoline-4,7-diamine
CID 106036460
4-N-[3-[methyl(propan-2-yl)amino]propyl]quinoline-4,7-diamine
CID 106036752
1-N,5-N-bis(4-aminophenyl)-3-N,3-N-dimethylpentane-1,3,5-triamine
CID 58794813

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine?
The IUPAC name of 4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine (CID 106036365) is 4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine is CC(C)N(C)CCCNc1ccc(N)cc1.
What is the InChIKey of 4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine?
The InChIKey is ZIDOEBADTYWXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(2)16(3)10-4-9-15-13-7-5-12(14)6-8-13/h5-8,11,15H,4,9-10,14H2,1-3H3.
What are the key properties of 4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine?
4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine has a molecular weight of 221.35 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine is sourced from PubChem (CID 106036365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).