N'-(4-methyl-3-pyridinyl)propane-1,3-diamine

C9H15N3 — CID 66273701

IUPACN'-(4-methyl-3-pyridinyl)propane-1,3-diamine
SMILESCc1ccncc1NCCCN
InChIInChI=1S/C9H15N3/c1-8-3-6-11-7-9(8)12-5-2-4-10/h3,6-7,12H,2,4-5,10H2,1H3
InChIKeyUPAKSSJJQTYMJO-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.15
Rot. Bonds4

About N'-(4-methyl-3-pyridinyl)propane-1,3-diamine

N'-(4-methyl-3-pyridinyl)propane-1,3-diamine (PubChem CID 66273701) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N'-(4-methyl-3-pyridinyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-methyl-3-pyridinyl)propane-1,3-diamine
PubChem CID66273701
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN'-(4-methyl-3-pyridinyl)propane-1,3-diamine
SMILESCc1ccncc1NCCCN
InChIInChI=1S/C9H15N3/c1-8-3-6-11-7-9(8)12-5-2-4-10/h3,6-7,12H,2,4-5,10H2,1H3
InChIKeyUPAKSSJJQTYMJO-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
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'-(3-bromo-4-pyridinyl)propane-1,3-diamine
CID 104776647
2-methyl-2-N-(4-methyl-3-pyridinyl)propane-1,2-diamine
CID 112757188
N'-(3-bromo-4-pyridinyl)butane-1,4-diamine
CID 104776649
4-methyl-N-(3-phenylbutyl)pyridin-3-amine
CID 55201696
N-[(4-ethylphenyl)methyl]-4-methylpyridin-3-amine
CID 63329527
4-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-3-amine
CID 130693325
N-(5-chloropentyl)-3-methylpyridin-4-amine
CID 107320518
N'-(7-chloro-5-methylquinolin-4-yl)propane-1,3-diamine
CID 142090147
N-[(2,4-difluorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329924
4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 63329318
N'-(3-fluoro-4-pyridinyl)ethane-1,2-diamine
CID 112703774
N'-[4-[[4-(3-aminopropylamino)-3-methylphenyl]methyl]-2-methylphenyl]propane-1,3-diamine
CID 124926554

Frequently Asked Questions

What is the IUPAC name of N'-(4-methyl-3-pyridinyl)propane-1,3-diamine?
The IUPAC name of N'-(4-methyl-3-pyridinyl)propane-1,3-diamine (CID 66273701) is N'-(4-methyl-3-pyridinyl)propane-1,3-diamine.
What is the SMILES notation for N'-(4-methyl-3-pyridinyl)propane-1,3-diamine?
The canonical SMILES for N'-(4-methyl-3-pyridinyl)propane-1,3-diamine is Cc1ccncc1NCCCN.
What is the InChIKey of N'-(4-methyl-3-pyridinyl)propane-1,3-diamine?
The InChIKey is UPAKSSJJQTYMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-8-3-6-11-7-9(8)12-5-2-4-10/h3,6-7,12H,2,4-5,10H2,1H3.
What are the key properties of N'-(4-methyl-3-pyridinyl)propane-1,3-diamine?
N'-(4-methyl-3-pyridinyl)propane-1,3-diamine has a molecular weight of 165.24 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methyl-3-pyridinyl)propane-1,3-diamine is sourced from PubChem (CID 66273701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).