4-[(1E)-buta-1,3-dienoxy]-N,2-dimethylbutan-1-amine

C10H19NO — CID 143248170

IUPAC4-[(1E)-buta-1,3-dienoxy]-N,2-dimethylbutan-1-amine
SMILESC=C/C=C/OCCC(C)CNC
InChIInChI=1S/C10H19NO/c1-4-5-7-12-8-6-10(2)9-11-3/h4-5,7,10-11H,1,6,8-9H2,2-3H3/b7-5+
InChIKeySQIDMMZYKCDDNK-FNORWQNLSA-N
MW169.27 g/mol
LogP1.95
Rot. Bonds7

About 4-[(1E)-buta-1,3-dienoxy]-N,2-dimethylbutan-1-amine

4-[(1E)-buta-1,3-dienoxy]-N,2-dimethylbutan-1-amine (PubChem CID 143248170) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-[(1E)-buta-1,3-dienoxy]-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-[(1E)-buta-1,3-dienoxy]-N,2-dimethylbutan-1-amine
PubChem CID143248170
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-[(1E)-buta-1,3-dienoxy]-N,2-dimethylbutan-1-amine
SMILESC=C/C=C/OCCC(C)CNC
InChIInChI=1S/C10H19NO/c1-4-5-7-12-8-6-10(2)9-11-3/h4-5,7,10-11H,1,6,8-9H2,2-3H3/b7-5+
InChIKeySQIDMMZYKCDDNK-FNORWQNLSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1E)-buta-1,3-dienoxy]-N,2-dimethylbutan-1-amine?
The IUPAC name of 4-[(1E)-buta-1,3-dienoxy]-N,2-dimethylbutan-1-amine (CID 143248170) is 4-[(1E)-buta-1,3-dienoxy]-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-[(1E)-buta-1,3-dienoxy]-N,2-dimethylbutan-1-amine?
The canonical SMILES for 4-[(1E)-buta-1,3-dienoxy]-N,2-dimethylbutan-1-amine is C=C/C=C/OCCC(C)CNC.
What is the InChIKey of 4-[(1E)-buta-1,3-dienoxy]-N,2-dimethylbutan-1-amine?
The InChIKey is SQIDMMZYKCDDNK-FNORWQNLSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-7-12-8-6-10(2)9-11-3/h4-5,7,10-11H,1,6,8-9H2,2-3H3/b7-5+.
What are the key properties of 4-[(1E)-buta-1,3-dienoxy]-N,2-dimethylbutan-1-amine?
4-[(1E)-buta-1,3-dienoxy]-N,2-dimethylbutan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E)-buta-1,3-dienoxy]-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 143248170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).