5-(2-aminopropyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine

C17H23N3 — CID 80633800

IUPAC5-(2-aminopropyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
SMILESCc1ccc(CN(C)c2ccc(CC(C)N)cn2)cc1
InChIInChI=1S/C17H23N3/c1-13-4-6-15(7-5-13)12-20(3)17-9-8-16(11-19-17)10-14(2)18/h4-9,11,14H,10,12,18H2,1-3H3
InChIKeyLIJIUFAAIPGIFE-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.92
Rot. Bonds5

About 5-(2-aminopropyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine

5-(2-aminopropyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine (PubChem CID 80633800) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 5-(2-aminopropyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminopropyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
PubChem CID80633800
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name5-(2-aminopropyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
SMILESCc1ccc(CN(C)c2ccc(CC(C)N)cn2)cc1
InChIInChI=1S/C17H23N3/c1-13-4-6-15(7-5-13)12-20(3)17-9-8-16(11-19-17)10-14(2)18/h4-9,11,14H,10,12,18H2,1-3H3
InChIKeyLIJIUFAAIPGIFE-UHFFFAOYSA-N
XLogP2.92
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-aminopropyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine
CID 80634746
5-(2-aminopropyl)-N-butan-2-yl-N-methylpyridin-2-amine
CID 80633292
5-(2-aminopropyl)-N-methyl-N-pentylpyridin-2-amine
CID 80633509
2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrazine-2,5-diamine
CID 80652508
5-(2-aminobutyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 80634634
5-(2-aminopropyl)-N-(2-ethoxyethyl)-N-methylpyridin-2-amine
CID 81068641
6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile
CID 28799351
5-(2-aminopropyl)-N-benzyl-N-ethylpyridin-2-amine
CID 80633726
5-(2-aminopropyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
CID 80634906
6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboximidamide
CID 28799322
5-(2-aminopropyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyridin-2-amine
CID 80634547
5-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 80633966

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-(2-aminopropyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine (CID 80633800) is 5-(2-aminopropyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-(2-aminopropyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-(2-aminopropyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine is Cc1ccc(CN(C)c2ccc(CC(C)N)cn2)cc1.
What is the InChIKey of 5-(2-aminopropyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine?
The InChIKey is LIJIUFAAIPGIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-4-6-15(7-5-13)12-20(3)17-9-8-16(11-19-17)10-14(2)18/h4-9,11,14H,10,12,18H2,1-3H3.
What are the key properties of 5-(2-aminopropyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine?
5-(2-aminopropyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine has a molecular weight of 269.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 80633800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).