1-N,1-N,4-trimethylbenzene-1,3-diamine

C9H14N2 — CID 14513120

IUPAC1-N,1-N,4-trimethylbenzene-1,3-diamine
SMILESCc1ccc(N(C)C)cc1N
InChIInChI=1S/C9H14N2/c1-7-4-5-8(11(2)3)6-9(7)10/h4-6H,10H2,1-3H3
InChIKeyRSAVZMLVLNTTOW-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.64
Rot. Bonds1

About 1-N,1-N,4-trimethylbenzene-1,3-diamine

1-N,1-N,4-trimethylbenzene-1,3-diamine (PubChem CID 14513120) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-N,1-N,4-trimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,4-trimethylbenzene-1,3-diamine
PubChem CID14513120
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-N,1-N,4-trimethylbenzene-1,3-diamine
SMILESCc1ccc(N(C)C)cc1N
InChIInChI=1S/C9H14N2/c1-7-4-5-8(11(2)3)6-9(7)10/h4-6H,10H2,1-3H3
InChIKeyRSAVZMLVLNTTOW-UHFFFAOYSA-N
XLogP1.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.64
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

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CID 7471
2,4-Diaminotoluene
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2,6-Diaminotoluene
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1,3-Benzenediamine, 2-methyl-, hydrochloride (1:2)
CID 27324
2-Amino-5-(diethylamino)toluene
CID 67364
N,N-Diethyltoluene-2,5-diamine hydrochloride
CID 108623
N,N-dimethyl-m-toluidine
CID 8488
3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea)
CID 87146
4,4'-Methylenebis(N-methylaniline)
CID 15735
N,N,2-Trimethylaniline
CID 11869
2,N-Dimethylaniline
CID 69137
p-(Dimethylamino)cinnamonitrile
CID 5374281

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-trimethylbenzene-1,3-diamine?
The IUPAC name of 1-N,1-N,4-trimethylbenzene-1,3-diamine (CID 14513120) is 1-N,1-N,4-trimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N,1-N,4-trimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N,1-N,4-trimethylbenzene-1,3-diamine is Cc1ccc(N(C)C)cc1N.
What is the InChIKey of 1-N,1-N,4-trimethylbenzene-1,3-diamine?
The InChIKey is RSAVZMLVLNTTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-4-5-8(11(2)3)6-9(7)10/h4-6H,10H2,1-3H3.
What are the key properties of 1-N,1-N,4-trimethylbenzene-1,3-diamine?
1-N,1-N,4-trimethylbenzene-1,3-diamine has a molecular weight of 150.22 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-trimethylbenzene-1,3-diamine is sourced from PubChem (CID 14513120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).