N,N-diethyl-4-methoxypent-2-yn-1-amine

C10H19NO — CID 12537154

IUPACN,N-diethyl-4-methoxypent-2-yn-1-amine
SMILESCCN(CC)CC#CC(C)OC
InChIInChI=1S/C10H19NO/c1-5-11(6-2)9-7-8-10(3)12-4/h10H,5-6,9H2,1-4H3
InChIKeyBUCDDOSWUVJVSP-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.37
Rot. Bonds4

About N,N-diethyl-4-methoxypent-2-yn-1-amine

N,N-diethyl-4-methoxypent-2-yn-1-amine (PubChem CID 12537154) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N,N-diethyl-4-methoxypent-2-yn-1-amine.

Molecular Properties

Compound NameN,N-diethyl-4-methoxypent-2-yn-1-amine
PubChem CID12537154
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN,N-diethyl-4-methoxypent-2-yn-1-amine
SMILESCCN(CC)CC#CC(C)OC
InChIInChI=1S/C10H19NO/c1-5-11(6-2)9-7-8-10(3)12-4/h10H,5-6,9H2,1-4H3
InChIKeyBUCDDOSWUVJVSP-UHFFFAOYSA-N
XLogP1.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.37
H-Bond Donors ≤ 50
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 N,N-diethyl-4-methoxypent-2-yn-1-amine?
The IUPAC name of N,N-diethyl-4-methoxypent-2-yn-1-amine (CID 12537154) is N,N-diethyl-4-methoxypent-2-yn-1-amine.
What is the SMILES notation for N,N-diethyl-4-methoxypent-2-yn-1-amine?
The canonical SMILES for N,N-diethyl-4-methoxypent-2-yn-1-amine is CCN(CC)CC#CC(C)OC.
What is the InChIKey of N,N-diethyl-4-methoxypent-2-yn-1-amine?
The InChIKey is BUCDDOSWUVJVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-11(6-2)9-7-8-10(3)12-4/h10H,5-6,9H2,1-4H3.
What are the key properties of N,N-diethyl-4-methoxypent-2-yn-1-amine?
N,N-diethyl-4-methoxypent-2-yn-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methoxypent-2-yn-1-amine is sourced from PubChem (CID 12537154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).