3-N,3-N-dimethylbenzene-1,3-diamine;hydrochloride

C8H13ClN2 — CID 12646050

IUPAC3-N,3-N-dimethylbenzene-1,3-diamine;hydrochloride
SMILESCN(C)c1cccc(N)c1.Cl
InChIInChI=1S/C8H12N2.ClH/c1-10(2)8-5-3-4-7(9)6-8;/h3-6H,9H2,1-2H3;1H
InChIKeyFJPOIABBUQPVRI-UHFFFAOYSA-N
MW172.66 g/mol
LogP1.76
Rot. Bonds1

About 3-N,3-N-dimethylbenzene-1,3-diamine;hydrochloride

3-N,3-N-dimethylbenzene-1,3-diamine;hydrochloride (PubChem CID 12646050) has the molecular formula C8H13ClN2 and a molecular weight of 172.66 g/mol. Its IUPAC name is 3-N,3-N-dimethylbenzene-1,3-diamine;hydrochloride.

Molecular Properties

Compound Name3-N,3-N-dimethylbenzene-1,3-diamine;hydrochloride
PubChem CID12646050
Molecular FormulaC8H13ClN2
Molecular Weight172.66 g/mol
Exact Mass172.08
IUPAC Name3-N,3-N-dimethylbenzene-1,3-diamine;hydrochloride
SMILESCN(C)c1cccc(N)c1.Cl
InChIInChI=1S/C8H12N2.ClH/c1-10(2)8-5-3-4-7(9)6-8;/h3-6H,9H2,1-2H3;1H
InChIKeyFJPOIABBUQPVRI-UHFFFAOYSA-N
XLogP1.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.66
LogP ≤ 51.76
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

N,N-Dimethylaniline
CID 949
N-Methylaniline
CID 7515
M-Phenylenediamine
CID 7935
N-Ethylaniline
CID 7670
N,N-dimethyl-p-phenylenediamine
CID 7472
N-Isopropylaniline
CID 13032
N,N-Diethyl-p-phenylenediamine
CID 7120
N,N-Diethylaniline
CID 7061
N,N,N',N'-tetramethyl-p-phenylenediamine
CID 7490
M-phenylenediamine dihydrochloride
CID 10941
Trimethylphenylammonium iodide
CID 94135
N-Butylaniline
CID 14310

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethylbenzene-1,3-diamine;hydrochloride?
The IUPAC name of 3-N,3-N-dimethylbenzene-1,3-diamine;hydrochloride (CID 12646050) is 3-N,3-N-dimethylbenzene-1,3-diamine;hydrochloride.
What is the SMILES notation for 3-N,3-N-dimethylbenzene-1,3-diamine;hydrochloride?
The canonical SMILES for 3-N,3-N-dimethylbenzene-1,3-diamine;hydrochloride is CN(C)c1cccc(N)c1.Cl.
What is the InChIKey of 3-N,3-N-dimethylbenzene-1,3-diamine;hydrochloride?
The InChIKey is FJPOIABBUQPVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.ClH/c1-10(2)8-5-3-4-7(9)6-8;/h3-6H,9H2,1-2H3;1H.
What are the key properties of 3-N,3-N-dimethylbenzene-1,3-diamine;hydrochloride?
3-N,3-N-dimethylbenzene-1,3-diamine;hydrochloride has a molecular weight of 172.66 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethylbenzene-1,3-diamine;hydrochloride is sourced from PubChem (CID 12646050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).