N'-(2,3-dihydropyridin-2-yl)pent-2-yne-1,5-diamine

C10H15N3 — CID 91029909

IUPACN'-(2,3-dihydropyridin-2-yl)pent-2-yne-1,5-diamine
SMILESNCC#CCCNC1CC=CC=N1
InChIInChI=1S/C10H15N3/c11-7-3-1-4-8-12-10-6-2-5-9-13-10/h2,5,9-10,12H,4,6-8,11H2
InChIKeyXJTNVYSDCGDUPL-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.28
Rot. Bonds3

About N'-(2,3-dihydropyridin-2-yl)pent-2-yne-1,5-diamine

N'-(2,3-dihydropyridin-2-yl)pent-2-yne-1,5-diamine (PubChem CID 91029909) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N'-(2,3-dihydropyridin-2-yl)pent-2-yne-1,5-diamine.

Molecular Properties

Compound NameN'-(2,3-dihydropyridin-2-yl)pent-2-yne-1,5-diamine
PubChem CID91029909
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN'-(2,3-dihydropyridin-2-yl)pent-2-yne-1,5-diamine
SMILESNCC#CCCNC1CC=CC=N1
InChIInChI=1S/C10H15N3/c11-7-3-1-4-8-12-10-6-2-5-9-13-10/h2,5,9-10,12H,4,6-8,11H2
InChIKeyXJTNVYSDCGDUPL-UHFFFAOYSA-N
XLogP0.28
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydropyridin-2-yl)pent-2-yne-1,5-diamine?
The IUPAC name of N'-(2,3-dihydropyridin-2-yl)pent-2-yne-1,5-diamine (CID 91029909) is N'-(2,3-dihydropyridin-2-yl)pent-2-yne-1,5-diamine.
What is the SMILES notation for N'-(2,3-dihydropyridin-2-yl)pent-2-yne-1,5-diamine?
The canonical SMILES for N'-(2,3-dihydropyridin-2-yl)pent-2-yne-1,5-diamine is NCC#CCCNC1CC=CC=N1.
What is the InChIKey of N'-(2,3-dihydropyridin-2-yl)pent-2-yne-1,5-diamine?
The InChIKey is XJTNVYSDCGDUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c11-7-3-1-4-8-12-10-6-2-5-9-13-10/h2,5,9-10,12H,4,6-8,11H2.
What are the key properties of N'-(2,3-dihydropyridin-2-yl)pent-2-yne-1,5-diamine?
N'-(2,3-dihydropyridin-2-yl)pent-2-yne-1,5-diamine has a molecular weight of 177.25 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 N'-(2,3-dihydropyridin-2-yl)pent-2-yne-1,5-diamine is sourced from PubChem (CID 91029909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).