N,N-diethylpent-3-en-1-yn-1-amine

C9H15N — CID 58421834

IUPACN,N-diethylpent-3-en-1-yn-1-amine
SMILESCC=CC#CN(CC)CC
InChIInChI=1S/C9H15N/c1-4-7-8-9-10(5-2)6-3/h4,7H,5-6H2,1-3H3
InChIKeyYMHLYNYVDKGVON-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.87
Rot. Bonds2

About N,N-diethylpent-3-en-1-yn-1-amine

N,N-diethylpent-3-en-1-yn-1-amine (PubChem CID 58421834) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N,N-diethylpent-3-en-1-yn-1-amine.

Molecular Properties

Compound NameN,N-diethylpent-3-en-1-yn-1-amine
PubChem CID58421834
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN,N-diethylpent-3-en-1-yn-1-amine
SMILESCC=CC#CN(CC)CC
InChIInChI=1S/C9H15N/c1-4-7-8-9-10(5-2)6-3/h4,7H,5-6H2,1-3H3
InChIKeyYMHLYNYVDKGVON-UHFFFAOYSA-N
XLogP1.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-diethylpent-3-en-1-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethylpent-3-en-1-yn-1-amine?
The IUPAC name of N,N-diethylpent-3-en-1-yn-1-amine (CID 58421834) is N,N-diethylpent-3-en-1-yn-1-amine.
What is the SMILES notation for N,N-diethylpent-3-en-1-yn-1-amine?
The canonical SMILES for N,N-diethylpent-3-en-1-yn-1-amine is CC=CC#CN(CC)CC.
What is the InChIKey of N,N-diethylpent-3-en-1-yn-1-amine?
The InChIKey is YMHLYNYVDKGVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-4-7-8-9-10(5-2)6-3/h4,7H,5-6H2,1-3H3.
What are the key properties of N,N-diethylpent-3-en-1-yn-1-amine?
N,N-diethylpent-3-en-1-yn-1-amine has a molecular weight of 137.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylpent-3-en-1-yn-1-amine is sourced from PubChem (CID 58421834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).