N-[2-(2,3-dihydrofuran-5-yl)ethyl]prop-2-yn-1-amine

C9H13NO — CID 129045702

IUPACN-[2-(2,3-dihydrofuran-5-yl)ethyl]prop-2-yn-1-amine
SMILESC#CCNCCC1=CCCO1
InChIInChI=1S/C9H13NO/c1-2-6-10-7-5-9-4-3-8-11-9/h1,4,10H,3,5-8H2
InChIKeyBKPMDCXXSJFQOD-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.90
Rot. Bonds4

About N-[2-(2,3-dihydrofuran-5-yl)ethyl]prop-2-yn-1-amine

N-[2-(2,3-dihydrofuran-5-yl)ethyl]prop-2-yn-1-amine (PubChem CID 129045702) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-[2-(2,3-dihydrofuran-5-yl)ethyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydrofuran-5-yl)ethyl]prop-2-yn-1-amine
PubChem CID129045702
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-[2-(2,3-dihydrofuran-5-yl)ethyl]prop-2-yn-1-amine
SMILESC#CCNCCC1=CCCO1
InChIInChI=1S/C9H13NO/c1-2-6-10-7-5-9-4-3-8-11-9/h1,4,10H,3,5-8H2
InChIKeyBKPMDCXXSJFQOD-UHFFFAOYSA-N
XLogP0.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2,3-dihydrofuran-5-yl)ethyl]prop-2-yn-1-amine?
The IUPAC name of N-[2-(2,3-dihydrofuran-5-yl)ethyl]prop-2-yn-1-amine (CID 129045702) is N-[2-(2,3-dihydrofuran-5-yl)ethyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[2-(2,3-dihydrofuran-5-yl)ethyl]prop-2-yn-1-amine?
The canonical SMILES for N-[2-(2,3-dihydrofuran-5-yl)ethyl]prop-2-yn-1-amine is C#CCNCCC1=CCCO1.
What is the InChIKey of N-[2-(2,3-dihydrofuran-5-yl)ethyl]prop-2-yn-1-amine?
The InChIKey is BKPMDCXXSJFQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-6-10-7-5-9-4-3-8-11-9/h1,4,10H,3,5-8H2.
What are the key properties of N-[2-(2,3-dihydrofuran-5-yl)ethyl]prop-2-yn-1-amine?
N-[2-(2,3-dihydrofuran-5-yl)ethyl]prop-2-yn-1-amine has a molecular weight of 151.21 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydrofuran-5-yl)ethyl]prop-2-yn-1-amine is sourced from PubChem (CID 129045702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).