3-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-4-amine

C18H23N3 — CID 81249862

IUPAC3-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-4-amine
SMILESCc1ccc(N(C)c2ccncc2CNC2CC2)c(C)c1
InChIInChI=1S/C18H23N3/c1-13-4-7-17(14(2)10-13)21(3)18-8-9-19-11-15(18)12-20-16-5-6-16/h4,7-11,16,20H,5-6,12H2,1-3H3
InChIKeyIZNYTYMHTMMJMI-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.72
Rot. Bonds5

About 3-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-4-amine

3-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-4-amine (PubChem CID 81249862) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-4-amine.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-4-amine
PubChem CID81249862
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name3-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-4-amine
SMILESCc1ccc(N(C)c2ccncc2CNC2CC2)c(C)c1
InChIInChI=1S/C18H23N3/c1-13-4-7-17(14(2)10-13)21(3)18-8-9-19-11-15(18)12-20-16-5-6-16/h4,7-11,16,20H,5-6,12H2,1-3H3
InChIKeyIZNYTYMHTMMJMI-UHFFFAOYSA-N
XLogP3.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine
CID 105073452
N-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-N-methylpyridin-4-amine
CID 81246461
5-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyrazin-2-amine
CID 107379665
N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 81248054
3-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 81246500
6-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine
CID 62293980
3-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 81249517
N-[[4-(2-bromo-4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81250448
3-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyridin-4-amine
CID 81249309
N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 81246080
3-[(cyclopropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine
CID 81250020
4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 105073052

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-4-amine?
The IUPAC name of 3-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-4-amine (CID 81249862) is 3-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-4-amine.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-4-amine?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-4-amine is Cc1ccc(N(C)c2ccncc2CNC2CC2)c(C)c1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-4-amine?
The InChIKey is IZNYTYMHTMMJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13-4-7-17(14(2)10-13)21(3)18-8-9-19-11-15(18)12-20-16-5-6-16/h4,7-11,16,20H,5-6,12H2,1-3H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-4-amine?
3-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-4-amine has a molecular weight of 281.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-4-amine is sourced from PubChem (CID 81249862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).