N'-benzyl-N'-(2-methyl-4-pyridinyl)propane-1,3-diamine

C16H21N3 — CID 107368407

IUPACN'-benzyl-N'-(2-methyl-4-pyridinyl)propane-1,3-diamine
SMILESCc1cc(N(CCCN)Cc2ccccc2)ccn1
InChIInChI=1S/C16H21N3/c1-14-12-16(8-10-18-14)19(11-5-9-17)13-15-6-3-2-4-7-15/h2-4,6-8,10,12H,5,9,11,13,17H2,1H3
InChIKeyBZLFIMFFHRAQMT-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.75
Rot. Bonds6

About N'-benzyl-N'-(2-methyl-4-pyridinyl)propane-1,3-diamine

N'-benzyl-N'-(2-methyl-4-pyridinyl)propane-1,3-diamine (PubChem CID 107368407) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N'-benzyl-N'-(2-methyl-4-pyridinyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(2-methyl-4-pyridinyl)propane-1,3-diamine
PubChem CID107368407
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN'-benzyl-N'-(2-methyl-4-pyridinyl)propane-1,3-diamine
SMILESCc1cc(N(CCCN)Cc2ccccc2)ccn1
InChIInChI=1S/C16H21N3/c1-14-12-16(8-10-18-14)19(11-5-9-17)13-15-6-3-2-4-7-15/h2-4,6-8,10,12H,5,9,11,13,17H2,1H3
InChIKeyBZLFIMFFHRAQMT-UHFFFAOYSA-N
XLogP2.75
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(3,5-dimethylphenyl)methyl]-N'-phenylpropane-1,3-diamine
CID 61029753
N'-benzyl-N'-(3-fluoro-2-pyridinyl)propane-1,3-diamine
CID 107368121
N'-(2-methyl-4-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine
CID 112710088
N'-benzyl-N'-(5-fluoropyrimidin-2-yl)propane-1,3-diamine
CID 107368571
N'-benzyl-N'-(5-methoxypyrimidin-2-yl)propane-1,3-diamine
CID 107368222
N'-(3-methylphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 62698006
N'-benzyl-N'-(5-chloro-3-fluoro-2-pyridinyl)propane-1,3-diamine
CID 107368165
N'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine
CID 28770483
4-[(N-butylanilino)methyl]pyridin-2-amine
CID 64585240
N'-benzyl-N'-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 39373844
N'-benzyl-N'-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 107368586
N-benzyl-N-(3-pyridin-4-ylpropyl)aniline
CID 155930711

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(2-methyl-4-pyridinyl)propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-(2-methyl-4-pyridinyl)propane-1,3-diamine (CID 107368407) is N'-benzyl-N'-(2-methyl-4-pyridinyl)propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-(2-methyl-4-pyridinyl)propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-(2-methyl-4-pyridinyl)propane-1,3-diamine is Cc1cc(N(CCCN)Cc2ccccc2)ccn1.
What is the InChIKey of N'-benzyl-N'-(2-methyl-4-pyridinyl)propane-1,3-diamine?
The InChIKey is BZLFIMFFHRAQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-14-12-16(8-10-18-14)19(11-5-9-17)13-15-6-3-2-4-7-15/h2-4,6-8,10,12H,5,9,11,13,17H2,1H3.
What are the key properties of N'-benzyl-N'-(2-methyl-4-pyridinyl)propane-1,3-diamine?
N'-benzyl-N'-(2-methyl-4-pyridinyl)propane-1,3-diamine has a molecular weight of 255.37 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(2-methyl-4-pyridinyl)propane-1,3-diamine is sourced from PubChem (CID 107368407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).