3-N,3-N-dimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,3-diamine

C14H23N3 — CID 112721974

IUPAC3-N,3-N-dimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,3-diamine
SMILESCN(C)c1cccc(NCC2CCCN2C)c1
InChIInChI=1S/C14H23N3/c1-16(2)13-7-4-6-12(10-13)15-11-14-8-5-9-17(14)3/h4,6-7,10,14-15H,5,8-9,11H2,1-3H3
InChIKeyXWSQKCPAIFVMJW-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.26
Rot. Bonds4

About 3-N,3-N-dimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,3-diamine

3-N,3-N-dimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,3-diamine (PubChem CID 112721974) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,3-diamine
PubChem CID112721974
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3-N,3-N-dimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,3-diamine
SMILESCN(C)c1cccc(NCC2CCCN2C)c1
InChIInChI=1S/C14H23N3/c1-16(2)13-7-4-6-12(10-13)15-11-14-8-5-9-17(14)3/h4,6-7,10,14-15H,5,8-9,11H2,1-3H3
InChIKeyXWSQKCPAIFVMJW-UHFFFAOYSA-N
XLogP2.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzamide
CID 94200759
3-iodo-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62655252
1-N-(cycloheptylmethyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376208
N-[(1-methylpyrrolidin-2-yl)methyl]-3-propoxyaniline
CID 83961015
3,4-dichloro-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83962864
3-[2-(dimethylamino)ethoxy]-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62659586
N-[(1-methylpiperidin-2-yl)methyl]-3-methylsulfonylaniline
CID 62658865
3-chloro-4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83960396
2-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine
CID 106028932
N-methyl-2-[3-[(1-methylpiperidin-2-yl)methylamino]phenoxy]acetamide
CID 62655273
2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]phenol
CID 107700090
2-chloro-4-[(1-methylpiperidin-2-yl)methylamino]phenol
CID 107678243

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,3-diamine (CID 112721974) is 3-N,3-N-dimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,3-diamine is CN(C)c1cccc(NCC2CCCN2C)c1.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,3-diamine?
The InChIKey is XWSQKCPAIFVMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-16(2)13-7-4-6-12(10-13)15-11-14-8-5-9-17(14)3/h4,6-7,10,14-15H,5,8-9,11H2,1-3H3.
What are the key properties of 3-N,3-N-dimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,3-diamine?
3-N,3-N-dimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,3-diamine has a molecular weight of 233.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,3-diamine is sourced from PubChem (CID 112721974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).