2-N-butyl-1-N,2-N-dimethyl-1-N-propylbenzene-1,2-diamine

C15H26N2 — CID 142020233

IUPAC2-N-butyl-1-N,2-N-dimethyl-1-N-propylbenzene-1,2-diamine
SMILESCCCCN(C)c1ccccc1N(C)CCC
InChIInChI=1S/C15H26N2/c1-5-7-13-17(4)15-11-9-8-10-14(15)16(3)12-6-2/h8-11H,5-7,12-13H2,1-4H3
InChIKeyHHZGYICPAIUJML-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.77
Rot. Bonds7

About 2-N-butyl-1-N,2-N-dimethyl-1-N-propylbenzene-1,2-diamine

2-N-butyl-1-N,2-N-dimethyl-1-N-propylbenzene-1,2-diamine (PubChem CID 142020233) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-N-butyl-1-N,2-N-dimethyl-1-N-propylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-butyl-1-N,2-N-dimethyl-1-N-propylbenzene-1,2-diamine
PubChem CID142020233
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-N-butyl-1-N,2-N-dimethyl-1-N-propylbenzene-1,2-diamine
SMILESCCCCN(C)c1ccccc1N(C)CCC
InChIInChI=1S/C15H26N2/c1-5-7-13-17(4)15-11-9-8-10-14(15)16(3)12-6-2/h8-11H,5-7,12-13H2,1-4H3
InChIKeyHHZGYICPAIUJML-UHFFFAOYSA-N
XLogP3.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[butyl(methyl)amino]phenyl]methanol
CID 28945677
N,2-dimethyl-N-propylaniline
CID 69435269
2-fluoro-N-methyl-N-propylaniline
CID 67818828
2-methoxy-N-methyl-N-propylaniline
CID 23198488
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
(1S)-1-[2-[methyl(pentyl)amino]phenyl]ethanol
CID 63370824
2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline
CID 78936089
ethane;N-methyl-2-(2-methylpropyl)-N-propylaniline
CID 144845826
N',N'-dimethyl-2-[methyl(pentyl)amino]benzohydrazide
CID 67412773
2-[methyl(octyl)amino]benzoic acid
CID 21437831
2-[butyl(methyl)amino]-6-chlorobenzonitrile
CID 60678513
3-chloro-N,2-dimethyl-N-propylaniline
CID 123602210

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-1-N,2-N-dimethyl-1-N-propylbenzene-1,2-diamine?
The IUPAC name of 2-N-butyl-1-N,2-N-dimethyl-1-N-propylbenzene-1,2-diamine (CID 142020233) is 2-N-butyl-1-N,2-N-dimethyl-1-N-propylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-butyl-1-N,2-N-dimethyl-1-N-propylbenzene-1,2-diamine?
The canonical SMILES for 2-N-butyl-1-N,2-N-dimethyl-1-N-propylbenzene-1,2-diamine is CCCCN(C)c1ccccc1N(C)CCC.
What is the InChIKey of 2-N-butyl-1-N,2-N-dimethyl-1-N-propylbenzene-1,2-diamine?
The InChIKey is HHZGYICPAIUJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-7-13-17(4)15-11-9-8-10-14(15)16(3)12-6-2/h8-11H,5-7,12-13H2,1-4H3.
What are the key properties of 2-N-butyl-1-N,2-N-dimethyl-1-N-propylbenzene-1,2-diamine?
2-N-butyl-1-N,2-N-dimethyl-1-N-propylbenzene-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-1-N,2-N-dimethyl-1-N-propylbenzene-1,2-diamine is sourced from PubChem (CID 142020233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).