N'-[2-(2-aminobutyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine

C15H27N3 — CID 63795925

IUPACN'-[2-(2-aminobutyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCCC(N)Cc1ccccc1N(C)CCN(C)C
InChIInChI=1S/C15H27N3/c1-5-14(16)12-13-8-6-7-9-15(13)18(4)11-10-17(2)3/h6-9,14H,5,10-12,16H2,1-4H3
InChIKeyGZUGZNHSTKLEHR-UHFFFAOYSA-N
MW249.40 g/mol
LogP1.96
Rot. Bonds7

About N'-[2-(2-aminobutyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[2-(2-aminobutyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 63795925) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N'-[2-(2-aminobutyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2-aminobutyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID63795925
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN'-[2-(2-aminobutyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCCC(N)Cc1ccccc1N(C)CCN(C)C
InChIInChI=1S/C15H27N3/c1-5-14(16)12-13-8-6-7-9-15(13)18(4)11-10-17(2)3/h6-9,14H,5,10-12,16H2,1-4H3
InChIKeyGZUGZNHSTKLEHR-UHFFFAOYSA-N
XLogP1.96
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminobutyl)-N-(cyclobutylmethyl)-N-methylaniline
CID 63793613
N-[2-(2-aminobutyl)phenyl]-N,2-dimethylaniline
CID 63816863
2-(2-aminobutyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 63786813
2-(2-aminobutyl)-N-butyl-N-ethylaniline
CID 63785761
2-(2-aminobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylaniline
CID 63816850
N,N,N'-trimethyl-N'-[2-(methylaminomethyl)phenyl]ethane-1,2-diamine
CID 63699905
N'-[2-(2-aminobutyl)-5-bromophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63793805
N'-[2-(2-aminopropyl)phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 55236815
2-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 55236804
2-(2-aminobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79318453
2-(2-aminobutyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 63815111
ethane;N-methyl-2-(2-methylpropyl)-N-propylaniline
CID 144845826

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-aminobutyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[2-(2-aminobutyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine (CID 63795925) is N'-[2-(2-aminobutyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2-aminobutyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[2-(2-aminobutyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine is CCC(N)Cc1ccccc1N(C)CCN(C)C.
What is the InChIKey of N'-[2-(2-aminobutyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is GZUGZNHSTKLEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-14(16)12-13-8-6-7-9-15(13)18(4)11-10-17(2)3/h6-9,14H,5,10-12,16H2,1-4H3.
What are the key properties of N'-[2-(2-aminobutyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[2-(2-aminobutyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 249.40 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-aminobutyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 63795925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).