N'-benzyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine

C17H23N3 — CID 107367067

IUPACN'-benzyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
SMILESNCCCN(CCc1ccccn1)Cc1ccccc1
InChIInChI=1S/C17H23N3/c18-11-6-13-20(15-16-7-2-1-3-8-16)14-10-17-9-4-5-12-19-17/h1-5,7-9,12H,6,10-11,13-15,18H2
InChIKeyMPJVHTOBDNOJTR-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.48
Rot. Bonds8

About N'-benzyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine

N'-benzyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine (PubChem CID 107367067) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N'-benzyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
PubChem CID107367067
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN'-benzyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
SMILESNCCCN(CCc1ccccn1)Cc1ccccc1
InChIInChI=1S/C17H23N3/c18-11-6-13-20(15-16-7-2-1-3-8-16)14-10-17-9-4-5-12-19-17/h1-5,7-9,12H,6,10-11,13-15,18H2
InChIKeyMPJVHTOBDNOJTR-UHFFFAOYSA-N
XLogP2.48
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-chloroethyl)-2-pyridin-2-ylethanamine;hydrochloride
CID 3053599
N-benzyl-N,N',N'-tris(pyridin-2-ylmethyl)propane-1,3-diamine
CID 101205113
N'-butyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 63761672
N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine
CID 107367851
N'-(2-phenylethyl)-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine;dihydrochloride
CID 120871869
N'-benzyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 107366906
N'-benzyl-N'-[2-(trifluoromethoxy)ethyl]propane-1,3-diamine
CID 107367846
N-[[5-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl]-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine
CID 101335299
N'-[2-[2-aminoethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 141183733
N'-benzyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 107365130
N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine
CID 107367178
N-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 101191424

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine (CID 107367067) is N'-benzyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine is NCCCN(CCc1ccccn1)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine?
The InChIKey is MPJVHTOBDNOJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c18-11-6-13-20(15-16-7-2-1-3-8-16)14-10-17-9-4-5-12-19-17/h1-5,7-9,12H,6,10-11,13-15,18H2.
What are the key properties of N'-benzyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine?
N'-benzyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine has a molecular weight of 269.39 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 107367067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).