4-(3,4-dimethylpyrrolidin-1-yl)benzene-1,2-diamine

C12H19N3 — CID 106750970

IUPAC4-(3,4-dimethylpyrrolidin-1-yl)benzene-1,2-diamine
SMILESCC1CN(c2ccc(N)c(N)c2)CC1C
InChIInChI=1S/C12H19N3/c1-8-6-15(7-9(8)2)10-3-4-11(13)12(14)5-10/h3-5,8-9H,6-7,13-14H2,1-2H3
InChIKeyDIKIGOCUBZTYIT-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.94
Rot. Bonds1

About 4-(3,4-dimethylpyrrolidin-1-yl)benzene-1,2-diamine

4-(3,4-dimethylpyrrolidin-1-yl)benzene-1,2-diamine (PubChem CID 106750970) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(3,4-dimethylpyrrolidin-1-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(3,4-dimethylpyrrolidin-1-yl)benzene-1,2-diamine
PubChem CID106750970
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name4-(3,4-dimethylpyrrolidin-1-yl)benzene-1,2-diamine
SMILESCC1CN(c2ccc(N)c(N)c2)CC1C
InChIInChI=1S/C12H19N3/c1-8-6-15(7-9(8)2)10-3-4-11(13)12(14)5-10/h3-5,8-9H,6-7,13-14H2,1-2H3
InChIKeyDIKIGOCUBZTYIT-UHFFFAOYSA-N
XLogP1.94
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-azabicyclo[3.1.0]hexan-3-yl)benzene-1,2-diamine
CID 131071375
4-[(3S)-3,4-dimethylpiperazin-1-yl]benzene-1,2-diamine
CID 21032415
4-(4-tert-butylpiperidin-1-yl)benzene-1,2-diamine
CID 106750697
4-(azocan-1-yl)benzene-1,2-diamine
CID 106750210
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylaniline
CID 94894664
1-(4-amino-3-methoxyphenyl)-N,N,4-trimethylpyrrolidin-3-amine
CID 81465021
4-(4-tert-butylazepan-1-yl)benzene-1,2-diamine
CID 106750874
4-(1,3-dihydroisoindol-2-yl)benzene-1,2-diamine
CID 106750709
1-[4-(3,4-diaminophenyl)piperazin-1-yl]ethanone
CID 14911026
4-(4-ethoxypiperidin-1-yl)benzene-1,2-diamine
CID 106750486
4-(3,5-dimethylpiperidin-1-yl)-2-(trifluoromethyl)aniline
CID 43078605
4-[(2S)-4-(dimethylamino)-2-methylpyrrolidin-1-yl]benzene-1,2-diamine
CID 89112833

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylpyrrolidin-1-yl)benzene-1,2-diamine?
The IUPAC name of 4-(3,4-dimethylpyrrolidin-1-yl)benzene-1,2-diamine (CID 106750970) is 4-(3,4-dimethylpyrrolidin-1-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-(3,4-dimethylpyrrolidin-1-yl)benzene-1,2-diamine?
The canonical SMILES for 4-(3,4-dimethylpyrrolidin-1-yl)benzene-1,2-diamine is CC1CN(c2ccc(N)c(N)c2)CC1C.
What is the InChIKey of 4-(3,4-dimethylpyrrolidin-1-yl)benzene-1,2-diamine?
The InChIKey is DIKIGOCUBZTYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-8-6-15(7-9(8)2)10-3-4-11(13)12(14)5-10/h3-5,8-9H,6-7,13-14H2,1-2H3.
What are the key properties of 4-(3,4-dimethylpyrrolidin-1-yl)benzene-1,2-diamine?
4-(3,4-dimethylpyrrolidin-1-yl)benzene-1,2-diamine has a molecular weight of 205.30 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylpyrrolidin-1-yl)benzene-1,2-diamine is sourced from PubChem (CID 106750970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).