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

C9H19NO — CID 87106494

IUPAC3-[(Z)-but-2-en-2-yl]oxy-N,N-dimethylpropan-1-amine
SMILESC/C=C(/C)OCCCN(C)C
InChIInChI=1S/C9H19NO/c1-5-9(2)11-8-6-7-10(3)4/h5H,6-8H2,1-4H3/b9-5-
InChIKeyUUWUNBBHWBPIIB-UITAMQMPSA-N
MW157.26 g/mol
LogP1.88
Rot. Bonds5

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

3-[(Z)-but-2-en-2-yl]oxy-N,N-dimethylpropan-1-amine (PubChem CID 87106494) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-[(Z)-but-2-en-2-yl]oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[(Z)-but-2-en-2-yl]oxy-N,N-dimethylpropan-1-amine
PubChem CID87106494
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-[(Z)-but-2-en-2-yl]oxy-N,N-dimethylpropan-1-amine
SMILESC/C=C(/C)OCCCN(C)C
InChIInChI=1S/C9H19NO/c1-5-9(2)11-8-6-7-10(3)4/h5H,6-8H2,1-4H3/b9-5-
InChIKeyUUWUNBBHWBPIIB-UITAMQMPSA-N
XLogP1.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.88
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-dimethylpropan-1-amine?
The IUPAC name of 3-[(Z)-but-2-en-2-yl]oxy-N,N-dimethylpropan-1-amine (CID 87106494) is 3-[(Z)-but-2-en-2-yl]oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[(Z)-but-2-en-2-yl]oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[(Z)-but-2-en-2-yl]oxy-N,N-dimethylpropan-1-amine is C/C=C(/C)OCCCN(C)C.
What is the InChIKey of 3-[(Z)-but-2-en-2-yl]oxy-N,N-dimethylpropan-1-amine?
The InChIKey is UUWUNBBHWBPIIB-UITAMQMPSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-9(2)11-8-6-7-10(3)4/h5H,6-8H2,1-4H3/b9-5-.
What are the key properties of 3-[(Z)-but-2-en-2-yl]oxy-N,N-dimethylpropan-1-amine?
3-[(Z)-but-2-en-2-yl]oxy-N,N-dimethylpropan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.88, 5 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-dimethylpropan-1-amine is sourced from PubChem (CID 87106494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).