N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine

C9H15N3 — CID 21271666

IUPACN'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
SMILESCc1cncc(CNCCN)c1
InChIInChI=1S/C9H15N3/c1-8-4-9(7-12-5-8)6-11-3-2-10/h4-5,7,11H,2-3,6,10H2,1H3
InChIKeyPQSQSQCWPWLQPX-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.44
Rot. Bonds4

About N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine

N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine (PubChem CID 21271666) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
PubChem CID21271666
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
SMILESCc1cncc(CNCCN)c1
InChIInChI=1S/C9H15N3/c1-8-4-9(7-12-5-8)6-11-3-2-10/h4-5,7,11H,2-3,6,10H2,1H3
InChIKeyPQSQSQCWPWLQPX-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

N-[(5-methyl-3-pyridinyl)methyl]-4-methylsulfanylbutan-1-amine
CID 102881076
4,4,4-trifluoro-N-[(5-methyl-3-pyridinyl)methyl]butan-1-amine
CID 102880995
2-ethoxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880746
N-[(5-methyl-3-pyridinyl)methyl]-3-propoxypropan-1-amine
CID 102881006
ethyl 3-[(5-methyl-3-pyridinyl)methylamino]propanoate
CID 102877449
N-[(5-methyl-3-pyridinyl)methyl]-3-phenoxypropan-1-amine
CID 102880836
1-[(5-methyl-3-pyridinyl)methylamino]pentan-3-ol
CID 102881090
N-[(5-methyl-3-pyridinyl)methyl]formamide
CID 142430826
N'-[(5-chloro-3-pyridinyl)methyl]propane-1,3-diamine
CID 21271630
2-(3-methylbutoxy)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880820
N-[(5-methyl-3-pyridinyl)methyl]-2-(triazol-1-yl)ethanamine
CID 102881039
2-cyclopentyloxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880866

Frequently Asked Questions

What is the IUPAC name of N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine (CID 21271666) is N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine is Cc1cncc(CNCCN)c1.
What is the InChIKey of N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine?
The InChIKey is PQSQSQCWPWLQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-8-4-9(7-12-5-8)6-11-3-2-10/h4-5,7,11H,2-3,6,10H2,1H3.
What are the key properties of N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine?
N'-[(5-methyl-3-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'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 21271666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).