N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine

C15H19N3 — CID 90740224

IUPACN-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESc1ccc(CNCCNCc2ccccn2)cc1
InChIInChI=1S/C15H19N3/c1-2-6-14(7-3-1)12-16-10-11-17-13-15-8-4-5-9-18-15/h1-9,16-17H,10-13H2
InChIKeyCHJRYNYIZZSRBZ-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.96
Rot. Bonds7

About N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine

N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 90740224) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
PubChem CID90740224
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESc1ccc(CNCCNCc2ccccn2)cc1
InChIInChI=1S/C15H19N3/c1-2-6-14(7-3-1)12-16-10-11-17-13-15-8-4-5-9-18-15/h1-9,16-17H,10-13H2
InChIKeyCHJRYNYIZZSRBZ-UHFFFAOYSA-N
XLogP1.96
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
1-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 17294585
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 44782427
azane;methane;[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methanamine
CID 158212763
2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid
CID 103235916
3-bromo-N-(pyridin-2-ylmethyl)propan-1-amine
CID 114293539
4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 158855450
N-(benzylsulfanylmethyl)-1-pyridin-2-ylmethanamine
CID 102049731
2-hydroxysulfanyl-N-(pyridin-2-ylmethyl)ethanamine
CID 100924247
ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine
CID 144892285
N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 13082717

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine (CID 90740224) is N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine is c1ccc(CNCCNCc2ccccn2)cc1.
What is the InChIKey of N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is CHJRYNYIZZSRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-6-14(7-3-1)12-16-10-11-17-13-15-8-4-5-9-18-15/h1-9,16-17H,10-13H2.
What are the key properties of N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 241.34 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 90740224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).