1-(2-methoxyethoxy)-N-propyloct-7-en-3-amine

C14H29NO2 — CID 102928668

IUPAC1-(2-methoxyethoxy)-N-propyloct-7-en-3-amine
SMILESC=CCCCC(CCOCCOC)NCCC
InChIInChI=1S/C14H29NO2/c1-4-6-7-8-14(15-10-5-2)9-11-17-13-12-16-3/h4,14-15H,1,5-13H2,2-3H3
InChIKeyBCLANAHFSOJHDR-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.76
Rot. Bonds13

About 1-(2-methoxyethoxy)-N-propyloct-7-en-3-amine

1-(2-methoxyethoxy)-N-propyloct-7-en-3-amine (PubChem CID 102928668) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-N-propyloct-7-en-3-amine.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-N-propyloct-7-en-3-amine
PubChem CID102928668
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-(2-methoxyethoxy)-N-propyloct-7-en-3-amine
SMILESC=CCCCC(CCOCCOC)NCCC
InChIInChI=1S/C14H29NO2/c1-4-6-7-8-14(15-10-5-2)9-11-17-13-12-16-3/h4,14-15H,1,5-13H2,2-3H3
InChIKeyBCLANAHFSOJHDR-UHFFFAOYSA-N
XLogP2.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxy-N-propylnon-8-en-4-amine
CID 65091822
1-methoxy-N-propyldec-9-en-3-amine
CID 107008934
1-(2-methoxyethoxy)oct-7-en-3-ylhydrazine
CID 102929851
1-methoxy-5-(3-methylbutoxy)-N-propylpentan-3-amine
CID 55095563
1-ethoxy-N-propyloct-7-en-4-amine
CID 105153556
1-methoxy-N-propylhexan-3-amine
CID 61412304
1-(2-methoxyethoxy)-5-methyl-N-propylhex-5-en-3-amine
CID 102928563
1-(2,2-difluoroethoxy)-6-methoxy-N-propylhexan-3-amine
CID 103149832
N-propylundec-1-en-5-amine
CID 104987530
1,1-dimethoxy-N-propylhept-6-en-2-amine
CID 79493073
1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine
CID 115712453
1-methoxy-N-propyldodecan-4-amine
CID 65091880

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-N-propyloct-7-en-3-amine?
The IUPAC name of 1-(2-methoxyethoxy)-N-propyloct-7-en-3-amine (CID 102928668) is 1-(2-methoxyethoxy)-N-propyloct-7-en-3-amine.
What is the SMILES notation for 1-(2-methoxyethoxy)-N-propyloct-7-en-3-amine?
The canonical SMILES for 1-(2-methoxyethoxy)-N-propyloct-7-en-3-amine is C=CCCCC(CCOCCOC)NCCC.
What is the InChIKey of 1-(2-methoxyethoxy)-N-propyloct-7-en-3-amine?
The InChIKey is BCLANAHFSOJHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-6-7-8-14(15-10-5-2)9-11-17-13-12-16-3/h4,14-15H,1,5-13H2,2-3H3.
What are the key properties of 1-(2-methoxyethoxy)-N-propyloct-7-en-3-amine?
1-(2-methoxyethoxy)-N-propyloct-7-en-3-amine has a molecular weight of 243.39 g/mol, XLogP of 2.76, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-N-propyloct-7-en-3-amine is sourced from PubChem (CID 102928668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).