5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylpyridin-2-amine

C18H25N3 — CID 62183942

IUPAC5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(CN(C)Cc2ccc(C)cc2)cn1
InChIInChI=1S/C18H25N3/c1-4-11-19-18-10-9-17(12-20-18)14-21(3)13-16-7-5-15(2)6-8-16/h5-10,12H,4,11,13-14H2,1-3H3,(H,19,20)
InChIKeyUWDHTHJJOATBPL-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.84
Rot. Bonds7

About 5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylpyridin-2-amine

5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylpyridin-2-amine (PubChem CID 62183942) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylpyridin-2-amine
PubChem CID62183942
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(CN(C)Cc2ccc(C)cc2)cn1
InChIInChI=1S/C18H25N3/c1-4-11-19-18-10-9-17(12-20-18)14-21(3)13-16-7-5-15(2)6-8-16/h5-10,12H,4,11,13-14H2,1-3H3,(H,19,20)
InChIKeyUWDHTHJJOATBPL-UHFFFAOYSA-N
XLogP3.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62183438
N,N,N'-trimethyl-N'-[[6-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine
CID 63698946
5-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine
CID 62207430
5-[(dipropylamino)methyl]-N-propylpyridin-2-amine
CID 62183383
5-[[cyclobutylmethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62861753
5-[(4-methylphenoxy)methyl]-N-propylpyridin-2-amine
CID 62193904
5-[[benzyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 55046066
5-[(N,2-dimethylanilino)methyl]-N-propylpyridin-2-amine
CID 62209613
5-[(2-fluoro-N-methylanilino)methyl]-N-propylpyridin-2-amine
CID 62209615
5-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine
CID 55046130
5-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine
CID 62207861
2-[ethyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]ethanol
CID 62182263

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylpyridin-2-amine?
The IUPAC name of 5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylpyridin-2-amine (CID 62183942) is 5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylpyridin-2-amine is CCCNc1ccc(CN(C)Cc2ccc(C)cc2)cn1.
What is the InChIKey of 5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylpyridin-2-amine?
The InChIKey is UWDHTHJJOATBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-4-11-19-18-10-9-17(12-20-18)14-21(3)13-16-7-5-15(2)6-8-16/h5-10,12H,4,11,13-14H2,1-3H3,(H,19,20).
What are the key properties of 5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylpyridin-2-amine?
5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylpyridin-2-amine has a molecular weight of 283.42 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62183942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).