N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-yn-1-amine

C10H16N2 — CID 114410525

IUPACN-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-yn-1-amine
SMILESC#CCNCCN1CC=CCC1
InChIInChI=1S/C10H16N2/c1-2-6-11-7-10-12-8-4-3-5-9-12/h1,3-4,11H,5-10H2
InChIKeyVWNIGPYMNWWOLK-UHFFFAOYSA-N
MW164.25 g/mol
LogP0.47
Rot. Bonds4

About N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-yn-1-amine

N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-yn-1-amine (PubChem CID 114410525) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-yn-1-amine
PubChem CID114410525
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-yn-1-amine
SMILESC#CCNCCN1CC=CCC1
InChIInChI=1S/C10H16N2/c1-2-6-11-7-10-12-8-4-3-5-9-12/h1,3-4,11H,5-10H2
InChIKeyVWNIGPYMNWWOLK-UHFFFAOYSA-N
XLogP0.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-yn-1-amine?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-yn-1-amine (CID 114410525) is N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-yn-1-amine?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-yn-1-amine is C#CCNCCN1CC=CCC1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-yn-1-amine?
The InChIKey is VWNIGPYMNWWOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-6-11-7-10-12-8-4-3-5-9-12/h1,3-4,11H,5-10H2.
What are the key properties of N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-yn-1-amine?
N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-yn-1-amine has a molecular weight of 164.25 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-yn-1-amine is sourced from PubChem (CID 114410525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).