2-N-(1-pyridin-4-ylpropyl)pyridine-2,3-diamine

C13H16N4 — CID 42609065

IUPAC2-N-(1-pyridin-4-ylpropyl)pyridine-2,3-diamine
SMILESCCC(Nc1ncccc1N)c1ccncc1
InChIInChI=1S/C13H16N4/c1-2-12(10-5-8-15-9-6-10)17-13-11(14)4-3-7-16-13/h3-9,12H,2,14H2,1H3,(H,16,17)
InChIKeyOHMMLFYJCGKQAE-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.62
Rot. Bonds4

About 2-N-(1-pyridin-4-ylpropyl)pyridine-2,3-diamine

2-N-(1-pyridin-4-ylpropyl)pyridine-2,3-diamine (PubChem CID 42609065) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-N-(1-pyridin-4-ylpropyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(1-pyridin-4-ylpropyl)pyridine-2,3-diamine
PubChem CID42609065
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-N-(1-pyridin-4-ylpropyl)pyridine-2,3-diamine
SMILESCCC(Nc1ncccc1N)c1ccncc1
InChIInChI=1S/C13H16N4/c1-2-12(10-5-8-15-9-6-10)17-13-11(14)4-3-7-16-13/h3-9,12H,2,14H2,1H3,(H,16,17)
InChIKeyOHMMLFYJCGKQAE-UHFFFAOYSA-N
XLogP2.62
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
CID 79916019
3-methoxy-N-(1-phenylpropyl)pyridin-2-amine
CID 112568517
(2S)-2-[(3-amino-2-pyridinyl)amino]propan-1-ol
CID 93081574
2-[(3-amino-2-pyridinyl)amino]propan-1-ol
CID 43498948
5-bromo-2-N-(1-phenylpropyl)pyridine-2,3-diamine
CID 62305722
2-N-octan-2-ylpyridine-2,3-diamine
CID 61476406
N-[(1R)-1-pyridin-4-ylpropyl]hydroxylamine
CID 130707242
N-(1-pyridin-4-ylpropyl)pentan-3-amine
CID 115723436
6-N-(1-phenylpropyl)quinoline-5,6-diamine
CID 62305552
2-pentan-3-yloxypyridin-3-amine
CID 45091266
3-(2-aminophenyl)-N-(1-pyridin-4-ylpropyl)propanamide
CID 120613150
5-ethyl-4-N-[(1S)-1-pyridin-3-ylpropyl]pyrimidine-2,4-diamine
CID 97187439

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-pyridin-4-ylpropyl)pyridine-2,3-diamine?
The IUPAC name of 2-N-(1-pyridin-4-ylpropyl)pyridine-2,3-diamine (CID 42609065) is 2-N-(1-pyridin-4-ylpropyl)pyridine-2,3-diamine.
What is the SMILES notation for 2-N-(1-pyridin-4-ylpropyl)pyridine-2,3-diamine?
The canonical SMILES for 2-N-(1-pyridin-4-ylpropyl)pyridine-2,3-diamine is CCC(Nc1ncccc1N)c1ccncc1.
What is the InChIKey of 2-N-(1-pyridin-4-ylpropyl)pyridine-2,3-diamine?
The InChIKey is OHMMLFYJCGKQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-12(10-5-8-15-9-6-10)17-13-11(14)4-3-7-16-13/h3-9,12H,2,14H2,1H3,(H,16,17).
What are the key properties of 2-N-(1-pyridin-4-ylpropyl)pyridine-2,3-diamine?
2-N-(1-pyridin-4-ylpropyl)pyridine-2,3-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-pyridin-4-ylpropyl)pyridine-2,3-diamine is sourced from PubChem (CID 42609065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).