1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine

C16H25N3 — CID 115904143

IUPAC1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCC1CC(Nc2ccccc2N(C)C)CN1C1CC1
InChIInChI=1S/C16H25N3/c1-12-10-13(11-19(12)14-8-9-14)17-15-6-4-5-7-16(15)18(2)3/h4-7,12-14,17H,8-11H2,1-3H3
InChIKeyNCXCLYZQNBGJTR-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.79
Rot. Bonds4

About 1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine

1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 115904143) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID115904143
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCC1CC(Nc2ccccc2N(C)C)CN1C1CC1
InChIInChI=1S/C16H25N3/c1-12-10-13(11-19(12)14-8-9-14)17-15-6-4-5-7-16(15)18(2)3/h4-7,12-14,17H,8-11H2,1-3H3
InChIKeyNCXCLYZQNBGJTR-UHFFFAOYSA-N
XLogP2.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-5-methyl-N-naphthalen-1-ylpyrrolidin-3-amine
CID 115928211
1-cyclopropyl-N-(2,3-difluorophenyl)-5-methylpyrrolidin-3-amine
CID 113491642
1-N-cyclopentyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726461
1-cyclopropyl-5-methyl-N-(2-pyrazol-1-ylphenyl)pyrrolidin-3-amine
CID 115904145
1-N-cyclooctyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726463
1-cyclopropyl-5-methyl-N-(2-prop-2-enylsulfanylphenyl)pyrrolidin-3-amine
CID 115904201
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)quinolin-5-amine
CID 115928349
2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine
CID 43726415
1-N-(3-cyclopropylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 64596233
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-propan-2-yloxypyridin-3-amine
CID 115922180
2-N,2-N-dimethyl-1-N-(1-propan-2-ylpiperidin-4-yl)benzene-1,2-diamine
CID 43726465
1-cyclopropyl-N-(4-iodophenyl)-5-methylpyrrolidin-3-amine
CID 113491638

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine (CID 115904143) is 1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine is CC1CC(Nc2ccccc2N(C)C)CN1C1CC1.
What is the InChIKey of 1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is NCXCLYZQNBGJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-12-10-13(11-19(12)14-8-9-14)17-15-6-4-5-7-16(15)18(2)3/h4-7,12-14,17H,8-11H2,1-3H3.
What are the key properties of 1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 259.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 115904143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).