1-ethoxyhex-5-en-3-amine

C8H17NO — CID 105108630

IUPAC1-ethoxyhex-5-en-3-amine
SMILESC=CCC(N)CCOCC
InChIInChI=1S/C8H17NO/c1-3-5-8(9)6-7-10-4-2/h3,8H,1,4-7,9H2,2H3
InChIKeyNRDXVCIQCOWRNJ-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.32
Rot. Bonds6

About 1-ethoxyhex-5-en-3-amine

1-ethoxyhex-5-en-3-amine (PubChem CID 105108630) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-ethoxyhex-5-en-3-amine.

Molecular Properties

Compound Name1-ethoxyhex-5-en-3-amine
PubChem CID105108630
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-ethoxyhex-5-en-3-amine
SMILESC=CCC(N)CCOCC
InChIInChI=1S/C8H17NO/c1-3-5-8(9)6-7-10-4-2/h3,8H,1,4-7,9H2,2H3
InChIKeyNRDXVCIQCOWRNJ-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

1-(2,2,2-Trifluoroethoxy)hex-5-en-3-amine
CID 103147964
1-(2,2-Difluoroethoxy)hex-5-en-3-amine
CID 103148817
2-Hex-5-enoxyethanamine
CID 59316214
(3R)-1-hept-6-enoxy-4-methylpentan-3-amine
CID 87242821
4-Propoxypent-4-en-2-amine
CID 117626742
1-Hept-6-enoxy-4-methylpentan-3-amine
CID 123872109
(3R)-5-methoxypent-1-en-3-amine
CID 137495270
1-[(Z)-oct-5-enoxy]propan-2-amine
CID 140604749
3-Octa-4,5-dienoxypropan-1-amine
CID 141974109
Propan-1-amine;6-propoxyhept-1-ene
CID 142274403
3-(Methoxymethyl)hex-5-en-2-amine
CID 143335167
Molecular hydrogen;6-propoxyhex-1-en-3-amine
CID 144401696

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyhex-5-en-3-amine?
The IUPAC name of 1-ethoxyhex-5-en-3-amine (CID 105108630) is 1-ethoxyhex-5-en-3-amine.
What is the SMILES notation for 1-ethoxyhex-5-en-3-amine?
The canonical SMILES for 1-ethoxyhex-5-en-3-amine is C=CCC(N)CCOCC.
What is the InChIKey of 1-ethoxyhex-5-en-3-amine?
The InChIKey is NRDXVCIQCOWRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-5-8(9)6-7-10-4-2/h3,8H,1,4-7,9H2,2H3.
What are the key properties of 1-ethoxyhex-5-en-3-amine?
1-ethoxyhex-5-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 1-ethoxyhex-5-en-3-amine is sourced from PubChem (CID 105108630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).