3-methyl-2-N,2-N-dipropylbenzene-1,2-diamine

C13H22N2 — CID 115549884

IUPAC3-methyl-2-N,2-N-dipropylbenzene-1,2-diamine
SMILESCCCN(CCC)c1c(C)cccc1N
InChIInChI=1S/C13H22N2/c1-4-9-15(10-5-2)13-11(3)7-6-8-12(13)14/h6-8H,4-5,9-10,14H2,1-3H3
InChIKeyAUBYKQFMGVZPEV-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.20
Rot. Bonds5

About 3-methyl-2-N,2-N-dipropylbenzene-1,2-diamine

3-methyl-2-N,2-N-dipropylbenzene-1,2-diamine (PubChem CID 115549884) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-methyl-2-N,2-N-dipropylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-methyl-2-N,2-N-dipropylbenzene-1,2-diamine
PubChem CID115549884
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-methyl-2-N,2-N-dipropylbenzene-1,2-diamine
SMILESCCCN(CCC)c1c(C)cccc1N
InChIInChI=1S/C13H22N2/c1-4-9-15(10-5-2)13-11(3)7-6-8-12(13)14/h6-8H,4-5,9-10,14H2,1-3H3
InChIKeyAUBYKQFMGVZPEV-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-Diaminotoluene
CID 17593
N-ethyl-3-methylaniline
CID 7603
4-Amino-3-methyl-N-ethyl-N-(beta-(methanesulfonamido)ethyl)aniline
CID 66693
2-Amino-5-(diethylamino)toluene
CID 67364
N,N-Diethyltoluene-2,5-diamine hydrochloride
CID 108623
N,N-dimethyl-m-toluidine
CID 8488
N,N-diethyl-m-toluidine
CID 66679
N,N'-Di-o-tolylethylenediamine
CID 66759
1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
CID 87984
Phenbenzamine
CID 13751
N,N,2-Trimethylaniline
CID 11869
3-(Ethyl(3-methylphenyl)amino)propanenitrile
CID 67363

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N,2-N-dipropylbenzene-1,2-diamine?
The IUPAC name of 3-methyl-2-N,2-N-dipropylbenzene-1,2-diamine (CID 115549884) is 3-methyl-2-N,2-N-dipropylbenzene-1,2-diamine.
What is the SMILES notation for 3-methyl-2-N,2-N-dipropylbenzene-1,2-diamine?
The canonical SMILES for 3-methyl-2-N,2-N-dipropylbenzene-1,2-diamine is CCCN(CCC)c1c(C)cccc1N.
What is the InChIKey of 3-methyl-2-N,2-N-dipropylbenzene-1,2-diamine?
The InChIKey is AUBYKQFMGVZPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-9-15(10-5-2)13-11(3)7-6-8-12(13)14/h6-8H,4-5,9-10,14H2,1-3H3.
What are the key properties of 3-methyl-2-N,2-N-dipropylbenzene-1,2-diamine?
3-methyl-2-N,2-N-dipropylbenzene-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N,2-N-dipropylbenzene-1,2-diamine is sourced from PubChem (CID 115549884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).