3-N,5-dimethyl-3-N-[(1-methylpyrrolidin-3-yl)methyl]benzene-1,3-diamine

C14H23N3 — CID 112647771

IUPAC3-N,5-dimethyl-3-N-[(1-methylpyrrolidin-3-yl)methyl]benzene-1,3-diamine
SMILESCc1cc(N)cc(N(C)CC2CCN(C)C2)c1
InChIInChI=1S/C14H23N3/c1-11-6-13(15)8-14(7-11)17(3)10-12-4-5-16(2)9-12/h6-8,12H,4-5,9-10,15H2,1-3H3
InChIKeyJRDKHHCUVJVFGV-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.97
Rot. Bonds3

About 3-N,5-dimethyl-3-N-[(1-methylpyrrolidin-3-yl)methyl]benzene-1,3-diamine

3-N,5-dimethyl-3-N-[(1-methylpyrrolidin-3-yl)methyl]benzene-1,3-diamine (PubChem CID 112647771) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-N,5-dimethyl-3-N-[(1-methylpyrrolidin-3-yl)methyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,5-dimethyl-3-N-[(1-methylpyrrolidin-3-yl)methyl]benzene-1,3-diamine
PubChem CID112647771
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3-N,5-dimethyl-3-N-[(1-methylpyrrolidin-3-yl)methyl]benzene-1,3-diamine
SMILESCc1cc(N)cc(N(C)CC2CCN(C)C2)c1
InChIInChI=1S/C14H23N3/c1-11-6-13(15)8-14(7-11)17(3)10-12-4-5-16(2)9-12/h6-8,12H,4-5,9-10,15H2,1-3H3
InChIKeyJRDKHHCUVJVFGV-UHFFFAOYSA-N
XLogP1.97
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
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

N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 63275722
4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 63276067
4-(bromomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 107083460
2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 107926216
2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzaldehyde
CID 55171627
4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
CID 80829312
2-amino-N-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzenesulfonamide
CID 80642598
3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-5-nitroaniline
CID 80748341
4-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-2-amine
CID 107542009
5-amino-3-fluoro-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 79901563
N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63275836
2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine
CID 80647121

Frequently Asked Questions

What is the IUPAC name of 3-N,5-dimethyl-3-N-[(1-methylpyrrolidin-3-yl)methyl]benzene-1,3-diamine?
The IUPAC name of 3-N,5-dimethyl-3-N-[(1-methylpyrrolidin-3-yl)methyl]benzene-1,3-diamine (CID 112647771) is 3-N,5-dimethyl-3-N-[(1-methylpyrrolidin-3-yl)methyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N,5-dimethyl-3-N-[(1-methylpyrrolidin-3-yl)methyl]benzene-1,3-diamine?
The canonical SMILES for 3-N,5-dimethyl-3-N-[(1-methylpyrrolidin-3-yl)methyl]benzene-1,3-diamine is Cc1cc(N)cc(N(C)CC2CCN(C)C2)c1.
What is the InChIKey of 3-N,5-dimethyl-3-N-[(1-methylpyrrolidin-3-yl)methyl]benzene-1,3-diamine?
The InChIKey is JRDKHHCUVJVFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-6-13(15)8-14(7-11)17(3)10-12-4-5-16(2)9-12/h6-8,12H,4-5,9-10,15H2,1-3H3.
What are the key properties of 3-N,5-dimethyl-3-N-[(1-methylpyrrolidin-3-yl)methyl]benzene-1,3-diamine?
3-N,5-dimethyl-3-N-[(1-methylpyrrolidin-3-yl)methyl]benzene-1,3-diamine has a molecular weight of 233.36 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-dimethyl-3-N-[(1-methylpyrrolidin-3-yl)methyl]benzene-1,3-diamine is sourced from PubChem (CID 112647771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).