1-ethoxy-N-propyloct-7-en-4-amine

C13H27NO — CID 105153556

IUPAC1-ethoxy-N-propyloct-7-en-4-amine
SMILESC=CCCC(CCCOCC)NCCC
InChIInChI=1S/C13H27NO/c1-4-7-9-13(14-11-5-2)10-8-12-15-6-3/h4,13-14H,1,5-12H2,2-3H3
InChIKeyWUBJPFPHDFYNJI-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.14
Rot. Bonds11

About 1-ethoxy-N-propyloct-7-en-4-amine

1-ethoxy-N-propyloct-7-en-4-amine (PubChem CID 105153556) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-ethoxy-N-propyloct-7-en-4-amine.

Molecular Properties

Compound Name1-ethoxy-N-propyloct-7-en-4-amine
PubChem CID105153556
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-ethoxy-N-propyloct-7-en-4-amine
SMILESC=CCCC(CCCOCC)NCCC
InChIInChI=1S/C13H27NO/c1-4-7-9-13(14-11-5-2)10-8-12-15-6-3/h4,13-14H,1,5-12H2,2-3H3
InChIKeyWUBJPFPHDFYNJI-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.14
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

N-propylundec-1-en-5-amine
CID 104987530
1-methoxy-N-propylnon-8-en-4-amine
CID 65091822
1-ethoxy-7-methyl-N-propyloctan-4-amine
CID 105127229
1-ethoxy-N-methylnon-8-en-4-amine
CID 105153065
1-methoxy-N-propyldec-9-en-3-amine
CID 107008934
1-(2-methoxyethoxy)-N-propyloct-7-en-3-amine
CID 102928668
1-cyclopentyl-5-ethoxy-N-propylpentan-2-amine
CID 105139073
1-ethoxy-6-methylidene-N-propyloctan-4-amine
CID 105164104
1-propoxy-N-propylheptan-4-amine
CID 79568616
1-N,1-N-dimethyl-3-N-propylhept-6-ene-1,3-diamine
CID 115346716
N-ethyltridec-1-en-5-amine
CID 104987742
1-ethoxyhept-6-en-3-ylhydrazine
CID 105311649

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-propyloct-7-en-4-amine?
The IUPAC name of 1-ethoxy-N-propyloct-7-en-4-amine (CID 105153556) is 1-ethoxy-N-propyloct-7-en-4-amine.
What is the SMILES notation for 1-ethoxy-N-propyloct-7-en-4-amine?
The canonical SMILES for 1-ethoxy-N-propyloct-7-en-4-amine is C=CCCC(CCCOCC)NCCC.
What is the InChIKey of 1-ethoxy-N-propyloct-7-en-4-amine?
The InChIKey is WUBJPFPHDFYNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-7-9-13(14-11-5-2)10-8-12-15-6-3/h4,13-14H,1,5-12H2,2-3H3.
What are the key properties of 1-ethoxy-N-propyloct-7-en-4-amine?
1-ethoxy-N-propyloct-7-en-4-amine has a molecular weight of 213.36 g/mol, XLogP of 3.14, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-propyloct-7-en-4-amine is sourced from PubChem (CID 105153556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).