N,N-diethylpent-4-en-2-yn-1-amine

C9H15N — CID 11126321

IUPACN,N-diethylpent-4-en-2-yn-1-amine
SMILESC=CC#CCN(CC)CC
InChIInChI=1S/C9H15N/c1-4-7-8-9-10(5-2)6-3/h4H,1,5-6,9H2,2-3H3
InChIKeyVMUSPSXXVQMKRH-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.52
Rot. Bonds3

About N,N-diethylpent-4-en-2-yn-1-amine

N,N-diethylpent-4-en-2-yn-1-amine (PubChem CID 11126321) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N,N-diethylpent-4-en-2-yn-1-amine.

Molecular Properties

Compound NameN,N-diethylpent-4-en-2-yn-1-amine
PubChem CID11126321
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN,N-diethylpent-4-en-2-yn-1-amine
SMILESC=CC#CCN(CC)CC
InChIInChI=1S/C9H15N/c1-4-7-8-9-10(5-2)6-3/h4H,1,5-6,9H2,2-3H3
InChIKeyVMUSPSXXVQMKRH-UHFFFAOYSA-N
XLogP1.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N,N-diethylpent-4-en-2-yn-1-amine?
The IUPAC name of N,N-diethylpent-4-en-2-yn-1-amine (CID 11126321) is N,N-diethylpent-4-en-2-yn-1-amine.
What is the SMILES notation for N,N-diethylpent-4-en-2-yn-1-amine?
The canonical SMILES for N,N-diethylpent-4-en-2-yn-1-amine is C=CC#CCN(CC)CC.
What is the InChIKey of N,N-diethylpent-4-en-2-yn-1-amine?
The InChIKey is VMUSPSXXVQMKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-4-7-8-9-10(5-2)6-3/h4H,1,5-6,9H2,2-3H3.
What are the key properties of N,N-diethylpent-4-en-2-yn-1-amine?
N,N-diethylpent-4-en-2-yn-1-amine has a molecular weight of 137.23 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylpent-4-en-2-yn-1-amine is sourced from PubChem (CID 11126321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).