1-(4-ethoxyoxan-4-yl)-N-methyloct-7-en-1-amine

C16H31NO2 — CID 107009741

IUPAC1-(4-ethoxyoxan-4-yl)-N-methyloct-7-en-1-amine
SMILESC=CCCCCCC(NC)C1(OCC)CCOCC1
InChIInChI=1S/C16H31NO2/c1-4-6-7-8-9-10-15(17-3)16(19-5-2)11-13-18-14-12-16/h4,15,17H,1,5-14H2,2-3H3
InChIKeyYVIWHCDGRDLBJL-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.30
Rot. Bonds10

About 1-(4-ethoxyoxan-4-yl)-N-methyloct-7-en-1-amine

1-(4-ethoxyoxan-4-yl)-N-methyloct-7-en-1-amine (PubChem CID 107009741) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(4-ethoxyoxan-4-yl)-N-methyloct-7-en-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyoxan-4-yl)-N-methyloct-7-en-1-amine
PubChem CID107009741
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-(4-ethoxyoxan-4-yl)-N-methyloct-7-en-1-amine
SMILESC=CCCCCCC(NC)C1(OCC)CCOCC1
InChIInChI=1S/C16H31NO2/c1-4-6-7-8-9-10-15(17-3)16(19-5-2)11-13-18-14-12-16/h4,15,17H,1,5-14H2,2-3H3
InChIKeyYVIWHCDGRDLBJL-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.30
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-(4-ethoxyoxan-4-yl)-N-methylheptan-1-amine
CID 116765630
1-(4-ethoxyoxan-4-yl)-N-methylpentan-1-amine
CID 116765698
1-(1-methoxycyclobutyl)-N-methyloct-7-en-1-amine
CID 107009678
1-(4-ethoxyoxan-4-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 116765669
1-(1-ethoxycyclopentyl)-N-methyldecan-1-amine
CID 116761887
1-(1-ethoxycyclopentyl)oct-7-en-1-ol
CID 107008722
1-(1-ethoxycyclohexyl)-N-propylhex-5-en-1-amine
CID 116764224
1-(4-ethoxyoxan-4-yl)nonan-1-ol
CID 116754253
1-(4-ethoxyoxan-4-yl)-N-ethylpropan-1-amine
CID 116765788
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-N-methylbutan-1-amine
CID 114857241
1-(1-ethoxycycloheptyl)-N-ethylpent-4-en-1-amine
CID 116771028
1-(1-ethoxycyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 116761963

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyoxan-4-yl)-N-methyloct-7-en-1-amine?
The IUPAC name of 1-(4-ethoxyoxan-4-yl)-N-methyloct-7-en-1-amine (CID 107009741) is 1-(4-ethoxyoxan-4-yl)-N-methyloct-7-en-1-amine.
What is the SMILES notation for 1-(4-ethoxyoxan-4-yl)-N-methyloct-7-en-1-amine?
The canonical SMILES for 1-(4-ethoxyoxan-4-yl)-N-methyloct-7-en-1-amine is C=CCCCCCC(NC)C1(OCC)CCOCC1.
What is the InChIKey of 1-(4-ethoxyoxan-4-yl)-N-methyloct-7-en-1-amine?
The InChIKey is YVIWHCDGRDLBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-6-7-8-9-10-15(17-3)16(19-5-2)11-13-18-14-12-16/h4,15,17H,1,5-14H2,2-3H3.
What are the key properties of 1-(4-ethoxyoxan-4-yl)-N-methyloct-7-en-1-amine?
1-(4-ethoxyoxan-4-yl)-N-methyloct-7-en-1-amine has a molecular weight of 269.43 g/mol, XLogP of 3.30, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyoxan-4-yl)-N-methyloct-7-en-1-amine is sourced from PubChem (CID 107009741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).