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

C15H19N3 — CID 62255300

IUPACN'-benzyl-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine
SMILESCc1cccnc1N(CCN)Cc1ccccc1
InChIInChI=1S/C15H19N3/c1-13-6-5-10-17-15(13)18(11-9-16)12-14-7-3-2-4-8-14/h2-8,10H,9,11-12,16H2,1H3
InChIKeyWISDULXAXGQXQH-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.36
Rot. Bonds5

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

N'-benzyl-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine (PubChem CID 62255300) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N'-benzyl-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine
PubChem CID62255300
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN'-benzyl-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine
SMILESCc1cccnc1N(CCN)Cc1ccccc1
InChIInChI=1S/C15H19N3/c1-13-6-5-10-17-15(13)18(11-9-16)12-14-7-3-2-4-8-14/h2-8,10H,9,11-12,16H2,1H3
InChIKeyWISDULXAXGQXQH-UHFFFAOYSA-N
XLogP2.36
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-bromoethyl)-3-methylpyridin-2-amine
CID 80675179
N'-benzyl-N'-(3-bromo-2-pyridinyl)ethane-1,2-diamine
CID 61375800
N'-benzyl-N'-(3-fluoro-2-pyridinyl)propane-1,3-diamine
CID 107368121
N'-benzyl-N'-furo[3,2-c]pyridin-4-ylethane-1,2-diamine
CID 106535010
N-benzyl-N-(2-bromoethyl)-3-fluoropyridin-2-amine
CID 80675173
N'-benzyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 62831676
N'-benzyl-N'-(5-bromo-4-methyl-2-pyridinyl)ethane-1,2-diamine
CID 114868985
N'-benzyl-N'-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 39357128
N'-benzyl-N'-(5-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 106511823
3-[(3-cyanophenyl)methyl-(3-methyl-2-pyridinyl)amino]propanoic acid
CID 82320394
N'-benzyl-N'-(6-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 106511752
3-[ethyl-(3-methyl-2-pyridinyl)amino]propanethioamide
CID 62253148

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine (CID 62255300) is N'-benzyl-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine is Cc1cccnc1N(CCN)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is WISDULXAXGQXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-13-6-5-10-17-15(13)18(11-9-16)12-14-7-3-2-4-8-14/h2-8,10H,9,11-12,16H2,1H3.
What are the key properties of N'-benzyl-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine?
N'-benzyl-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 241.34 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 62255300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).