N-buta-1,3-dien-2-yl-N-ethyloxan-4-amine

C11H19NO — CID 137484876

IUPACN-buta-1,3-dien-2-yl-N-ethyloxan-4-amine
SMILESC=CC(=C)N(CC)C1CCOCC1
InChIInChI=1S/C11H19NO/c1-4-10(3)12(5-2)11-6-8-13-9-7-11/h4,11H,1,3,5-9H2,2H3
InChIKeyKPNITWXFRPTLCU-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.19
Rot. Bonds4

About N-buta-1,3-dien-2-yl-N-ethyloxan-4-amine

N-buta-1,3-dien-2-yl-N-ethyloxan-4-amine (PubChem CID 137484876) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-buta-1,3-dien-2-yl-N-ethyloxan-4-amine.

Molecular Properties

Compound NameN-buta-1,3-dien-2-yl-N-ethyloxan-4-amine
PubChem CID137484876
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-buta-1,3-dien-2-yl-N-ethyloxan-4-amine
SMILESC=CC(=C)N(CC)C1CCOCC1
InChIInChI=1S/C11H19NO/c1-4-10(3)12(5-2)11-6-8-13-9-7-11/h4,11H,1,3,5-9H2,2H3
InChIKeyKPNITWXFRPTLCU-UHFFFAOYSA-N
XLogP2.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-buta-1,3-dien-2-yl-N-ethyloxan-4-amine?
The IUPAC name of N-buta-1,3-dien-2-yl-N-ethyloxan-4-amine (CID 137484876) is N-buta-1,3-dien-2-yl-N-ethyloxan-4-amine.
What is the SMILES notation for N-buta-1,3-dien-2-yl-N-ethyloxan-4-amine?
The canonical SMILES for N-buta-1,3-dien-2-yl-N-ethyloxan-4-amine is C=CC(=C)N(CC)C1CCOCC1.
What is the InChIKey of N-buta-1,3-dien-2-yl-N-ethyloxan-4-amine?
The InChIKey is KPNITWXFRPTLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-10(3)12(5-2)11-6-8-13-9-7-11/h4,11H,1,3,5-9H2,2H3.
What are the key properties of N-buta-1,3-dien-2-yl-N-ethyloxan-4-amine?
N-buta-1,3-dien-2-yl-N-ethyloxan-4-amine has a molecular weight of 181.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-buta-1,3-dien-2-yl-N-ethyloxan-4-amine is sourced from PubChem (CID 137484876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).