N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine

C9H15N3 — CID 14280569

IUPACN'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESCc1cccc(CNCCN)n1
InChIInChI=1S/C9H15N3/c1-8-3-2-4-9(12-8)7-11-6-5-10/h2-4,11H,5-7,10H2,1H3
InChIKeyYRPFXWFBVGRDGO-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.44
Rot. Bonds4

About N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine

N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine (PubChem CID 14280569) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
PubChem CID14280569
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESCc1cccc(CNCCN)n1
InChIInChI=1S/C9H15N3/c1-8-3-2-4-9(12-8)7-11-6-5-10/h2-4,11H,5-7,10H2,1H3
InChIKeyYRPFXWFBVGRDGO-UHFFFAOYSA-N
XLogP0.44
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.44
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

1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
N'-[[6-(aminomethyl)-2-pyridinyl]methyl]ethane-1,2-diamine
CID 59921847
N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
CID 60961143
N'-[[6-[(3-aminopropylamino)methyl]-2-pyridinyl]methyl]propane-1,3-diamine
CID 57064348
3-[(6-methyl-2-pyridinyl)methylamino]propanamide
CID 62323562
3-cyclopentyl-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114136937
N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylethanamine
CID 62322147
2-[2-[(6-methyl-2-pyridinyl)methylamino]ethoxy]ethanol
CID 62323741
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine
CID 15900109
1-(2-chlorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60961132
2-cyclohexyl-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 79267079
N'-hydroxy-2,2-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]hexanimidamide
CID 106711107

Frequently Asked Questions

What is the IUPAC name of N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine (CID 14280569) is N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine is Cc1cccc(CNCCN)n1.
What is the InChIKey of N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The InChIKey is YRPFXWFBVGRDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-8-3-2-4-9(12-8)7-11-6-5-10/h2-4,11H,5-7,10H2,1H3.
What are the key properties of N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine has a molecular weight of 165.24 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 14280569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).