3-buta-1,3-dien-2-yloxy-N,N,2,2-tetramethylpropan-1-amine

C11H21NO — CID 89166376

IUPAC3-buta-1,3-dien-2-yloxy-N,N,2,2-tetramethylpropan-1-amine
SMILESC=CC(=C)OCC(C)(C)CN(C)C
InChIInChI=1S/C11H21NO/c1-7-10(2)13-9-11(3,4)8-12(5)6/h7H,1-2,8-9H2,3-6H3
InChIKeyKKQUZWWQOPTGAW-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.29
Rot. Bonds6

About 3-buta-1,3-dien-2-yloxy-N,N,2,2-tetramethylpropan-1-amine

3-buta-1,3-dien-2-yloxy-N,N,2,2-tetramethylpropan-1-amine (PubChem CID 89166376) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-buta-1,3-dien-2-yloxy-N,N,2,2-tetramethylpropan-1-amine.

Molecular Properties

Compound Name3-buta-1,3-dien-2-yloxy-N,N,2,2-tetramethylpropan-1-amine
PubChem CID89166376
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-buta-1,3-dien-2-yloxy-N,N,2,2-tetramethylpropan-1-amine
SMILESC=CC(=C)OCC(C)(C)CN(C)C
InChIInChI=1S/C11H21NO/c1-7-10(2)13-9-11(3,4)8-12(5)6/h7H,1-2,8-9H2,3-6H3
InChIKeyKKQUZWWQOPTGAW-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-buta-1,3-dien-2-yloxy-N,N,2,2-tetramethylpropan-1-amine?
The IUPAC name of 3-buta-1,3-dien-2-yloxy-N,N,2,2-tetramethylpropan-1-amine (CID 89166376) is 3-buta-1,3-dien-2-yloxy-N,N,2,2-tetramethylpropan-1-amine.
What is the SMILES notation for 3-buta-1,3-dien-2-yloxy-N,N,2,2-tetramethylpropan-1-amine?
The canonical SMILES for 3-buta-1,3-dien-2-yloxy-N,N,2,2-tetramethylpropan-1-amine is C=CC(=C)OCC(C)(C)CN(C)C.
What is the InChIKey of 3-buta-1,3-dien-2-yloxy-N,N,2,2-tetramethylpropan-1-amine?
The InChIKey is KKQUZWWQOPTGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-7-10(2)13-9-11(3,4)8-12(5)6/h7H,1-2,8-9H2,3-6H3.
What are the key properties of 3-buta-1,3-dien-2-yloxy-N,N,2,2-tetramethylpropan-1-amine?
3-buta-1,3-dien-2-yloxy-N,N,2,2-tetramethylpropan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-buta-1,3-dien-2-yloxy-N,N,2,2-tetramethylpropan-1-amine is sourced from PubChem (CID 89166376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).