6-ethoxyhex-1-en-3-amine

C8H17NO — CID 105161277

IUPAC6-ethoxyhex-1-en-3-amine
SMILESC=CC(N)CCCOCC
InChIInChI=1S/C8H17NO/c1-3-8(9)6-5-7-10-4-2/h3,8H,1,4-7,9H2,2H3
InChIKeyQPTDBUHOPSDVJV-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.32
Rot. Bonds6

About 6-ethoxyhex-1-en-3-amine

6-ethoxyhex-1-en-3-amine (PubChem CID 105161277) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 6-ethoxyhex-1-en-3-amine.

Molecular Properties

Compound Name6-ethoxyhex-1-en-3-amine
PubChem CID105161277
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name6-ethoxyhex-1-en-3-amine
SMILESC=CC(N)CCCOCC
InChIInChI=1S/C8H17NO/c1-3-8(9)6-5-7-10-4-2/h3,8H,1,4-7,9H2,2H3
InChIKeyQPTDBUHOPSDVJV-UHFFFAOYSA-N
XLogP1.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.32
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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Related Compounds

2,3,4,5-Tetrahydrooxepin-5-amine
CID 69236690
(E)-1-[(E)-3-aminohex-1-enoxy]hex-1-en-3-amine
CID 87792206
Molecular hydrogen;6-propoxyhex-1-en-3-amine
CID 144401696
(Z)-1-ethoxy-7-methyloct-5-en-4-amine
CID 146227712
1-Methoxyhept-6-en-3-amine
CID 64297002
1-Propoxyhept-6-en-2-amine
CID 64298952
1-Propoxyhex-5-en-2-amine
CID 64298953
2-Ethoxyhept-6-en-3-amine
CID 64540277
1-Methoxyoct-7-en-4-amine
CID 65091862
7-Methoxyhept-1-en-4-amine
CID 65091974
6-Methoxyhex-1-en-3-amine
CID 65588358
6-methoxy-N-methylhex-1-en-3-amine
CID 65588559

Frequently Asked Questions

What is the IUPAC name of 6-ethoxyhex-1-en-3-amine?
The IUPAC name of 6-ethoxyhex-1-en-3-amine (CID 105161277) is 6-ethoxyhex-1-en-3-amine.
What is the SMILES notation for 6-ethoxyhex-1-en-3-amine?
The canonical SMILES for 6-ethoxyhex-1-en-3-amine is C=CC(N)CCCOCC.
What is the InChIKey of 6-ethoxyhex-1-en-3-amine?
The InChIKey is QPTDBUHOPSDVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-8(9)6-5-7-10-4-2/h3,8H,1,4-7,9H2,2H3.
What are the key properties of 6-ethoxyhex-1-en-3-amine?
6-ethoxyhex-1-en-3-amine has a molecular weight of 143.23 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxyhex-1-en-3-amine is sourced from PubChem (CID 105161277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).