4-[[benzyl(methyl)amino]methyl]pyridin-2-amine

C14H17N3 — CID 62472016

IUPAC4-[[benzyl(methyl)amino]methyl]pyridin-2-amine
SMILESCN(Cc1ccccc1)Cc1ccnc(N)c1
InChIInChI=1S/C14H17N3/c1-17(10-12-5-3-2-4-6-12)11-13-7-8-16-14(15)9-13/h2-9H,10-11H2,1H3,(H2,15,16)
InChIKeyZPLVGRRDLCPRQY-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.30
Rot. Bonds4

About 4-[[benzyl(methyl)amino]methyl]pyridin-2-amine

4-[[benzyl(methyl)amino]methyl]pyridin-2-amine (PubChem CID 62472016) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[[benzyl(methyl)amino]methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[[benzyl(methyl)amino]methyl]pyridin-2-amine
PubChem CID62472016
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-[[benzyl(methyl)amino]methyl]pyridin-2-amine
SMILESCN(Cc1ccccc1)Cc1ccnc(N)c1
InChIInChI=1S/C14H17N3/c1-17(10-12-5-3-2-4-6-12)11-13-7-8-16-14(15)9-13/h2-9H,10-11H2,1H3,(H2,15,16)
InChIKeyZPLVGRRDLCPRQY-UHFFFAOYSA-N
XLogP2.30
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(dimethylamino)methyl]pyridin-2-amine
CID 45088278
4-[[benzyl(methyl)amino]methyl]pyridine-2-carbothioamide
CID 63882465
4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pyridin-2-amine
CID 62464675
4-[[benzyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 55075738
4-[[cyclobutylmethyl(methyl)amino]methyl]pyridin-2-amine
CID 62861916
4-[[benzyl(methyl)amino]methyl]benzene-1,2-diamine
CID 82183785
4-[(N-butylanilino)methyl]pyridin-2-amine
CID 64585240
4-[[methyl(2-methylbutan-2-yl)amino]methyl]pyridin-2-amine
CID 63964708
2-[(2-amino-4-pyridinyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 62470329
[4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-2-pyridinyl]methanamine
CID 63887247
ethane;4-ethylpyridin-2-amine
CID 144736585
2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-cyclopropylacetamide
CID 62464125

Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl(methyl)amino]methyl]pyridin-2-amine?
The IUPAC name of 4-[[benzyl(methyl)amino]methyl]pyridin-2-amine (CID 62472016) is 4-[[benzyl(methyl)amino]methyl]pyridin-2-amine.
What is the SMILES notation for 4-[[benzyl(methyl)amino]methyl]pyridin-2-amine?
The canonical SMILES for 4-[[benzyl(methyl)amino]methyl]pyridin-2-amine is CN(Cc1ccccc1)Cc1ccnc(N)c1.
What is the InChIKey of 4-[[benzyl(methyl)amino]methyl]pyridin-2-amine?
The InChIKey is ZPLVGRRDLCPRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-17(10-12-5-3-2-4-6-12)11-13-7-8-16-14(15)9-13/h2-9H,10-11H2,1H3,(H2,15,16).
What are the key properties of 4-[[benzyl(methyl)amino]methyl]pyridin-2-amine?
4-[[benzyl(methyl)amino]methyl]pyridin-2-amine has a molecular weight of 227.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl(methyl)amino]methyl]pyridin-2-amine is sourced from PubChem (CID 62472016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).