3-[(Z)-but-2-en-2-yl]oxy-N,N-diethylpropan-1-amine

C11H23NO — CID 87106996

IUPAC3-[(Z)-but-2-en-2-yl]oxy-N,N-diethylpropan-1-amine
SMILESC/C=C(/C)OCCCN(CC)CC
InChIInChI=1S/C11H23NO/c1-5-11(4)13-10-8-9-12(6-2)7-3/h5H,6-10H2,1-4H3/b11-5-
InChIKeyQKFJPWHSKCFCRY-WZUFQYTHSA-N
MW185.31 g/mol
LogP2.66
Rot. Bonds7

About 3-[(Z)-but-2-en-2-yl]oxy-N,N-diethylpropan-1-amine

3-[(Z)-but-2-en-2-yl]oxy-N,N-diethylpropan-1-amine (PubChem CID 87106996) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-[(Z)-but-2-en-2-yl]oxy-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-[(Z)-but-2-en-2-yl]oxy-N,N-diethylpropan-1-amine
PubChem CID87106996
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-[(Z)-but-2-en-2-yl]oxy-N,N-diethylpropan-1-amine
SMILESC/C=C(/C)OCCCN(CC)CC
InChIInChI=1S/C11H23NO/c1-5-11(4)13-10-8-9-12(6-2)7-3/h5H,6-10H2,1-4H3/b11-5-
InChIKeyQKFJPWHSKCFCRY-WZUFQYTHSA-N
XLogP2.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-2-en-2-yl]oxy-N,N-diethylpropan-1-amine?
The IUPAC name of 3-[(Z)-but-2-en-2-yl]oxy-N,N-diethylpropan-1-amine (CID 87106996) is 3-[(Z)-but-2-en-2-yl]oxy-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-[(Z)-but-2-en-2-yl]oxy-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-[(Z)-but-2-en-2-yl]oxy-N,N-diethylpropan-1-amine is C/C=C(/C)OCCCN(CC)CC.
What is the InChIKey of 3-[(Z)-but-2-en-2-yl]oxy-N,N-diethylpropan-1-amine?
The InChIKey is QKFJPWHSKCFCRY-WZUFQYTHSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-11(4)13-10-8-9-12(6-2)7-3/h5H,6-10H2,1-4H3/b11-5-.
What are the key properties of 3-[(Z)-but-2-en-2-yl]oxy-N,N-diethylpropan-1-amine?
3-[(Z)-but-2-en-2-yl]oxy-N,N-diethylpropan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-2-en-2-yl]oxy-N,N-diethylpropan-1-amine is sourced from PubChem (CID 87106996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).