1-pyridin-4-ylpent-3-yn-1-amine

C10H12N2 — CID 62311977

IUPAC1-pyridin-4-ylpent-3-yn-1-amine
SMILESCC#CCC(N)c1ccncc1
InChIInChI=1S/C10H12N2/c1-2-3-4-10(11)9-5-7-12-8-6-9/h5-8,10H,4,11H2,1H3
InChIKeyCPQZONNFJDYSEZ-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.49
Rot. Bonds2

About 1-pyridin-4-ylpent-3-yn-1-amine

1-pyridin-4-ylpent-3-yn-1-amine (PubChem CID 62311977) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-pyridin-4-ylpent-3-yn-1-amine.

Molecular Properties

Compound Name1-pyridin-4-ylpent-3-yn-1-amine
PubChem CID62311977
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name1-pyridin-4-ylpent-3-yn-1-amine
SMILESCC#CCC(N)c1ccncc1
InChIInChI=1S/C10H12N2/c1-2-3-4-10(11)9-5-7-12-8-6-9/h5-8,10H,4,11H2,1H3
InChIKeyCPQZONNFJDYSEZ-UHFFFAOYSA-N
XLogP1.49
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-ylpent-3-yn-1-amine?
The IUPAC name of 1-pyridin-4-ylpent-3-yn-1-amine (CID 62311977) is 1-pyridin-4-ylpent-3-yn-1-amine.
What is the SMILES notation for 1-pyridin-4-ylpent-3-yn-1-amine?
The canonical SMILES for 1-pyridin-4-ylpent-3-yn-1-amine is CC#CCC(N)c1ccncc1.
What is the InChIKey of 1-pyridin-4-ylpent-3-yn-1-amine?
The InChIKey is CPQZONNFJDYSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-3-4-10(11)9-5-7-12-8-6-9/h5-8,10H,4,11H2,1H3.
What are the key properties of 1-pyridin-4-ylpent-3-yn-1-amine?
1-pyridin-4-ylpent-3-yn-1-amine has a molecular weight of 160.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-ylpent-3-yn-1-amine is sourced from PubChem (CID 62311977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).