N-(2-buta-1,3-dien-2-yloxyethyl)-N-ethylpropan-1-amine

C11H21NO — CID 142077770

IUPACN-(2-buta-1,3-dien-2-yloxyethyl)-N-ethylpropan-1-amine
SMILESC=CC(=C)OCCN(CC)CCC
InChIInChI=1S/C11H21NO/c1-5-8-12(7-3)9-10-13-11(4)6-2/h6H,2,4-5,7-10H2,1,3H3
InChIKeyPSNKXMSARNMHKJ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.43
Rot. Bonds8

About N-(2-buta-1,3-dien-2-yloxyethyl)-N-ethylpropan-1-amine

N-(2-buta-1,3-dien-2-yloxyethyl)-N-ethylpropan-1-amine (PubChem CID 142077770) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-(2-buta-1,3-dien-2-yloxyethyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound NameN-(2-buta-1,3-dien-2-yloxyethyl)-N-ethylpropan-1-amine
PubChem CID142077770
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-(2-buta-1,3-dien-2-yloxyethyl)-N-ethylpropan-1-amine
SMILESC=CC(=C)OCCN(CC)CCC
InChIInChI=1S/C11H21NO/c1-5-8-12(7-3)9-10-13-11(4)6-2/h6H,2,4-5,7-10H2,1,3H3
InChIKeyPSNKXMSARNMHKJ-UHFFFAOYSA-N
XLogP2.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.43
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 N-(2-buta-1,3-dien-2-yloxyethyl)-N-ethylpropan-1-amine?
The IUPAC name of N-(2-buta-1,3-dien-2-yloxyethyl)-N-ethylpropan-1-amine (CID 142077770) is N-(2-buta-1,3-dien-2-yloxyethyl)-N-ethylpropan-1-amine.
What is the SMILES notation for N-(2-buta-1,3-dien-2-yloxyethyl)-N-ethylpropan-1-amine?
The canonical SMILES for N-(2-buta-1,3-dien-2-yloxyethyl)-N-ethylpropan-1-amine is C=CC(=C)OCCN(CC)CCC.
What is the InChIKey of N-(2-buta-1,3-dien-2-yloxyethyl)-N-ethylpropan-1-amine?
The InChIKey is PSNKXMSARNMHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-8-12(7-3)9-10-13-11(4)6-2/h6H,2,4-5,7-10H2,1,3H3.
What are the key properties of N-(2-buta-1,3-dien-2-yloxyethyl)-N-ethylpropan-1-amine?
N-(2-buta-1,3-dien-2-yloxyethyl)-N-ethylpropan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-buta-1,3-dien-2-yloxyethyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 142077770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).