2-[[benzyl(propan-2-yl)amino]methyl]pyridin-3-amine

C16H21N3 — CID 104739694

IUPAC2-[[benzyl(propan-2-yl)amino]methyl]pyridin-3-amine
SMILESCC(C)N(Cc1ccccc1)Cc1ncccc1N
InChIInChI=1S/C16H21N3/c1-13(2)19(11-14-7-4-3-5-8-14)12-16-15(17)9-6-10-18-16/h3-10,13H,11-12,17H2,1-2H3
InChIKeyFTCGDQBNALZXHT-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.07
Rot. Bonds5

About 2-[[benzyl(propan-2-yl)amino]methyl]pyridin-3-amine

2-[[benzyl(propan-2-yl)amino]methyl]pyridin-3-amine (PubChem CID 104739694) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-[[benzyl(propan-2-yl)amino]methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[[benzyl(propan-2-yl)amino]methyl]pyridin-3-amine
PubChem CID104739694
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-[[benzyl(propan-2-yl)amino]methyl]pyridin-3-amine
SMILESCC(C)N(Cc1ccccc1)Cc1ncccc1N
InChIInChI=1S/C16H21N3/c1-13(2)19(11-14-7-4-3-5-8-14)12-16-15(17)9-6-10-18-16/h3-10,13H,11-12,17H2,1-2H3
InChIKeyFTCGDQBNALZXHT-UHFFFAOYSA-N
XLogP3.07
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]methyl]aniline
CID 115982039
6-[[benzyl(propan-2-yl)amino]methyl]-5-chloropyridin-2-amine
CID 62890943
5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 79772479
2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]pyridin-3-amine
CID 104739958
3-[[propan-2-yl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43460245
2-[[(4-fluorophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 43460424
2-[[methyl(3-methylbutyl)amino]methyl]pyridin-3-amine
CID 104739891
5-[[benzyl(propan-2-yl)amino]methyl]pyrimidine-2,4-diamine
CID 82213905
N,N-bis(isoquinolin-1-ylmethyl)propan-2-amine
CID 59404292
4-[[(4-aminophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 59540436
N'-[(3-methyl-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 112649923
2-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]pyridin-3-ol
CID 29029305

Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(propan-2-yl)amino]methyl]pyridin-3-amine?
The IUPAC name of 2-[[benzyl(propan-2-yl)amino]methyl]pyridin-3-amine (CID 104739694) is 2-[[benzyl(propan-2-yl)amino]methyl]pyridin-3-amine.
What is the SMILES notation for 2-[[benzyl(propan-2-yl)amino]methyl]pyridin-3-amine?
The canonical SMILES for 2-[[benzyl(propan-2-yl)amino]methyl]pyridin-3-amine is CC(C)N(Cc1ccccc1)Cc1ncccc1N.
What is the InChIKey of 2-[[benzyl(propan-2-yl)amino]methyl]pyridin-3-amine?
The InChIKey is FTCGDQBNALZXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13(2)19(11-14-7-4-3-5-8-14)12-16-15(17)9-6-10-18-16/h3-10,13H,11-12,17H2,1-2H3.
What are the key properties of 2-[[benzyl(propan-2-yl)amino]methyl]pyridin-3-amine?
2-[[benzyl(propan-2-yl)amino]methyl]pyridin-3-amine has a molecular weight of 255.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(propan-2-yl)amino]methyl]pyridin-3-amine is sourced from PubChem (CID 104739694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).