4-methyl-3-(1-methylpyrrolidin-2-yl)benzene-1,2-diamine

C12H19N3 — CID 23386065

IUPAC4-methyl-3-(1-methylpyrrolidin-2-yl)benzene-1,2-diamine
SMILESCc1ccc(N)c(N)c1C1CCCN1C
InChIInChI=1S/C12H19N3/c1-8-5-6-9(13)12(14)11(8)10-4-3-7-15(10)2/h5-6,10H,3-4,7,13-14H2,1-2H3
InChIKeyMGNVKOLFZMEWBV-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.93
Rot. Bonds1

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

4-methyl-3-(1-methylpyrrolidin-2-yl)benzene-1,2-diamine (PubChem CID 23386065) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-methyl-3-(1-methylpyrrolidin-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-methyl-3-(1-methylpyrrolidin-2-yl)benzene-1,2-diamine
PubChem CID23386065
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name4-methyl-3-(1-methylpyrrolidin-2-yl)benzene-1,2-diamine
SMILESCc1ccc(N)c(N)c1C1CCCN1C
InChIInChI=1S/C12H19N3/c1-8-5-6-9(13)12(14)11(8)10-4-3-7-15(10)2/h5-6,10H,3-4,7,13-14H2,1-2H3
InChIKeyMGNVKOLFZMEWBV-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1-methylpyrrolidin-2-yl)benzene-1,2-diamine?
The IUPAC name of 4-methyl-3-(1-methylpyrrolidin-2-yl)benzene-1,2-diamine (CID 23386065) is 4-methyl-3-(1-methylpyrrolidin-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-methyl-3-(1-methylpyrrolidin-2-yl)benzene-1,2-diamine?
The canonical SMILES for 4-methyl-3-(1-methylpyrrolidin-2-yl)benzene-1,2-diamine is Cc1ccc(N)c(N)c1C1CCCN1C.
What is the InChIKey of 4-methyl-3-(1-methylpyrrolidin-2-yl)benzene-1,2-diamine?
The InChIKey is MGNVKOLFZMEWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-8-5-6-9(13)12(14)11(8)10-4-3-7-15(10)2/h5-6,10H,3-4,7,13-14H2,1-2H3.
What are the key properties of 4-methyl-3-(1-methylpyrrolidin-2-yl)benzene-1,2-diamine?
4-methyl-3-(1-methylpyrrolidin-2-yl)benzene-1,2-diamine has a molecular weight of 205.30 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1-methylpyrrolidin-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 23386065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).