1-N-[3-(dimethylamino)propyl]-1-N,4-dimethylbenzene-1,3-diamine

C13H23N3 — CID 63694283

IUPAC1-N-[3-(dimethylamino)propyl]-1-N,4-dimethylbenzene-1,3-diamine
SMILESCc1ccc(N(C)CCCN(C)C)cc1N
InChIInChI=1S/C13H23N3/c1-11-6-7-12(10-13(11)14)16(4)9-5-8-15(2)3/h6-7,10H,5,8-9,14H2,1-4H3
InChIKeyMUJPXJMJTAZIMH-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.97
Rot. Bonds5

About 1-N-[3-(dimethylamino)propyl]-1-N,4-dimethylbenzene-1,3-diamine

1-N-[3-(dimethylamino)propyl]-1-N,4-dimethylbenzene-1,3-diamine (PubChem CID 63694283) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-N-[3-(dimethylamino)propyl]-1-N,4-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[3-(dimethylamino)propyl]-1-N,4-dimethylbenzene-1,3-diamine
PubChem CID63694283
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-N-[3-(dimethylamino)propyl]-1-N,4-dimethylbenzene-1,3-diamine
SMILESCc1ccc(N(C)CCCN(C)C)cc1N
InChIInChI=1S/C13H23N3/c1-11-6-7-12(10-13(11)14)16(4)9-5-8-15(2)3/h6-7,10H,5,8-9,14H2,1-4H3
InChIKeyMUJPXJMJTAZIMH-UHFFFAOYSA-N
XLogP1.97
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-dimethyl-1-N-(2-propan-2-yloxyethyl)benzene-1,3-diamine
CID 81059168
4-N-butyl-4-N-methylbenzene-1,2,4-triamine
CID 106750191
1-N-[3-(dimethylamino)propyl]-4-methylbenzene-1,3-diamine
CID 62910379
1-(3-amino-N,4-dimethylanilino)-2-methylpropan-2-ol
CID 79382345
1-N,4-dimethyl-1-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine
CID 79475627
N'-(3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine;ethane
CID 144693045
4-N-methyl-4-N-pentylbenzene-1,2,4-triamine
CID 106750383
1-N-[(4-ethylphenyl)methyl]-1-N,4-dimethylbenzene-1,3-diamine
CID 55130362
4-methyl-1-N-[3-(N-methylanilino)propyl]benzene-1,3-diamine
CID 62910733
3-(3-amino-N,4-dimethylanilino)-2-methylpropanenitrile
CID 62912327
1-N,4-dimethyl-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,3-diamine
CID 62911287
N'-[3-(difluoromethoxy)-4-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine;ethane
CID 144693010

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(dimethylamino)propyl]-1-N,4-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-[3-(dimethylamino)propyl]-1-N,4-dimethylbenzene-1,3-diamine (CID 63694283) is 1-N-[3-(dimethylamino)propyl]-1-N,4-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-[3-(dimethylamino)propyl]-1-N,4-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-[3-(dimethylamino)propyl]-1-N,4-dimethylbenzene-1,3-diamine is Cc1ccc(N(C)CCCN(C)C)cc1N.
What is the InChIKey of 1-N-[3-(dimethylamino)propyl]-1-N,4-dimethylbenzene-1,3-diamine?
The InChIKey is MUJPXJMJTAZIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11-6-7-12(10-13(11)14)16(4)9-5-8-15(2)3/h6-7,10H,5,8-9,14H2,1-4H3.
What are the key properties of 1-N-[3-(dimethylamino)propyl]-1-N,4-dimethylbenzene-1,3-diamine?
1-N-[3-(dimethylamino)propyl]-1-N,4-dimethylbenzene-1,3-diamine has a molecular weight of 221.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(dimethylamino)propyl]-1-N,4-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 63694283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).