2-ethoxyhept-6-en-3-amine

C9H19NO — CID 64540277

IUPAC2-ethoxyhept-6-en-3-amine
SMILESC=CCCC(N)C(C)OCC
InChIInChI=1S/C9H19NO/c1-4-6-7-9(10)8(3)11-5-2/h4,8-9H,1,5-7,10H2,2-3H3
InChIKeyLHMCQKCUMLNPDQ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.70
Rot. Bonds6

About 2-ethoxyhept-6-en-3-amine

2-ethoxyhept-6-en-3-amine (PubChem CID 64540277) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-ethoxyhept-6-en-3-amine.

Molecular Properties

Compound Name2-ethoxyhept-6-en-3-amine
PubChem CID64540277
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-ethoxyhept-6-en-3-amine
SMILESC=CCCC(N)C(C)OCC
InChIInChI=1S/C9H19NO/c1-4-6-7-9(10)8(3)11-5-2/h4,8-9H,1,5-7,10H2,2-3H3
InChIKeyLHMCQKCUMLNPDQ-UHFFFAOYSA-N
XLogP1.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyhept-6-en-3-amine?
The IUPAC name of 2-ethoxyhept-6-en-3-amine (CID 64540277) is 2-ethoxyhept-6-en-3-amine.
What is the SMILES notation for 2-ethoxyhept-6-en-3-amine?
The canonical SMILES for 2-ethoxyhept-6-en-3-amine is C=CCCC(N)C(C)OCC.
What is the InChIKey of 2-ethoxyhept-6-en-3-amine?
The InChIKey is LHMCQKCUMLNPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-6-7-9(10)8(3)11-5-2/h4,8-9H,1,5-7,10H2,2-3H3.
What are the key properties of 2-ethoxyhept-6-en-3-amine?
2-ethoxyhept-6-en-3-amine has a molecular weight of 157.26 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyhept-6-en-3-amine is sourced from PubChem (CID 64540277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).