ethane;4-ethoxypent-4-en-1-amine

C9H21NO — CID 142619296

IUPACethane;4-ethoxypent-4-en-1-amine
SMILESC=C(CCCN)OCC.CC
InChIInChI=1S/C7H15NO.C2H6/c1-3-9-7(2)5-4-6-8;1-2/h2-6,8H2,1H3;1-2H3
InChIKeyOWGRWHVKIBAGMX-UHFFFAOYSA-N
MW159.27 g/mol
LogP2.30
Rot. Bonds5

About ethane;4-ethoxypent-4-en-1-amine

ethane;4-ethoxypent-4-en-1-amine (PubChem CID 142619296) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is ethane;4-ethoxypent-4-en-1-amine.

Molecular Properties

Compound Nameethane;4-ethoxypent-4-en-1-amine
PubChem CID142619296
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Nameethane;4-ethoxypent-4-en-1-amine
SMILESC=C(CCCN)OCC.CC
InChIInChI=1S/C7H15NO.C2H6/c1-3-9-7(2)5-4-6-8;1-2/h2-6,8H2,1H3;1-2H3
InChIKeyOWGRWHVKIBAGMX-UHFFFAOYSA-N
XLogP2.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethoxypent-4-en-1-amine?
The IUPAC name of ethane;4-ethoxypent-4-en-1-amine (CID 142619296) is ethane;4-ethoxypent-4-en-1-amine.
What is the SMILES notation for ethane;4-ethoxypent-4-en-1-amine?
The canonical SMILES for ethane;4-ethoxypent-4-en-1-amine is C=C(CCCN)OCC.CC.
What is the InChIKey of ethane;4-ethoxypent-4-en-1-amine?
The InChIKey is OWGRWHVKIBAGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C2H6/c1-3-9-7(2)5-4-6-8;1-2/h2-6,8H2,1H3;1-2H3.
What are the key properties of ethane;4-ethoxypent-4-en-1-amine?
ethane;4-ethoxypent-4-en-1-amine has a molecular weight of 159.27 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethoxypent-4-en-1-amine is sourced from PubChem (CID 142619296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).