4-N-propyl-3,4-dihydropyridine-3,4-diamine

C8H15N3 — CID 142922311

IUPAC4-N-propyl-3,4-dihydropyridine-3,4-diamine
SMILESCCCNC1C=CN=CC1N
InChIInChI=1S/C8H15N3/c1-2-4-11-8-3-5-10-6-7(8)9/h3,5-8,11H,2,4,9H2,1H3
InChIKeyWLWAYNZLAMBLQF-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.28
Rot. Bonds3

About 4-N-propyl-3,4-dihydropyridine-3,4-diamine

4-N-propyl-3,4-dihydropyridine-3,4-diamine (PubChem CID 142922311) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 4-N-propyl-3,4-dihydropyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-propyl-3,4-dihydropyridine-3,4-diamine
PubChem CID142922311
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name4-N-propyl-3,4-dihydropyridine-3,4-diamine
SMILESCCCNC1C=CN=CC1N
InChIInChI=1S/C8H15N3/c1-2-4-11-8-3-5-10-6-7(8)9/h3,5-8,11H,2,4,9H2,1H3
InChIKeyWLWAYNZLAMBLQF-UHFFFAOYSA-N
XLogP0.28
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-propyl-3,4-dihydropyridine-3,4-diamine?
The IUPAC name of 4-N-propyl-3,4-dihydropyridine-3,4-diamine (CID 142922311) is 4-N-propyl-3,4-dihydropyridine-3,4-diamine.
What is the SMILES notation for 4-N-propyl-3,4-dihydropyridine-3,4-diamine?
The canonical SMILES for 4-N-propyl-3,4-dihydropyridine-3,4-diamine is CCCNC1C=CN=CC1N.
What is the InChIKey of 4-N-propyl-3,4-dihydropyridine-3,4-diamine?
The InChIKey is WLWAYNZLAMBLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-2-4-11-8-3-5-10-6-7(8)9/h3,5-8,11H,2,4,9H2,1H3.
What are the key properties of 4-N-propyl-3,4-dihydropyridine-3,4-diamine?
4-N-propyl-3,4-dihydropyridine-3,4-diamine has a molecular weight of 153.23 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-propyl-3,4-dihydropyridine-3,4-diamine is sourced from PubChem (CID 142922311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).