5-ethoxy-N-propan-2-ylpent-3-en-1-amine

C10H21NO — CID 79591339

IUPAC5-ethoxy-N-propan-2-ylpent-3-en-1-amine
SMILESCCOCC=CCCNC(C)C
InChIInChI=1S/C10H21NO/c1-4-12-9-7-5-6-8-11-10(2)3/h5,7,10-11H,4,6,8-9H2,1-3H3
InChIKeyLZBUOVKSKVZVFD-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds7

About 5-ethoxy-N-propan-2-ylpent-3-en-1-amine

5-ethoxy-N-propan-2-ylpent-3-en-1-amine (PubChem CID 79591339) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 5-ethoxy-N-propan-2-ylpent-3-en-1-amine.

Molecular Properties

Compound Name5-ethoxy-N-propan-2-ylpent-3-en-1-amine
PubChem CID79591339
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name5-ethoxy-N-propan-2-ylpent-3-en-1-amine
SMILESCCOCC=CCCNC(C)C
InChIInChI=1S/C10H21NO/c1-4-12-9-7-5-6-8-11-10(2)3/h5,7,10-11H,4,6,8-9H2,1-3H3
InChIKeyLZBUOVKSKVZVFD-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-propan-2-ylpent-3-en-1-amine?
The IUPAC name of 5-ethoxy-N-propan-2-ylpent-3-en-1-amine (CID 79591339) is 5-ethoxy-N-propan-2-ylpent-3-en-1-amine.
What is the SMILES notation for 5-ethoxy-N-propan-2-ylpent-3-en-1-amine?
The canonical SMILES for 5-ethoxy-N-propan-2-ylpent-3-en-1-amine is CCOCC=CCCNC(C)C.
What is the InChIKey of 5-ethoxy-N-propan-2-ylpent-3-en-1-amine?
The InChIKey is LZBUOVKSKVZVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-12-9-7-5-6-8-11-10(2)3/h5,7,10-11H,4,6,8-9H2,1-3H3.
What are the key properties of 5-ethoxy-N-propan-2-ylpent-3-en-1-amine?
5-ethoxy-N-propan-2-ylpent-3-en-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-propan-2-ylpent-3-en-1-amine is sourced from PubChem (CID 79591339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).