1-(oxan-3-yl)-N-propyloct-7-en-1-amine

C16H31NO — CID 107009211

IUPAC1-(oxan-3-yl)-N-propyloct-7-en-1-amine
SMILESC=CCCCCCC(NCCC)C1CCCOC1
InChIInChI=1S/C16H31NO/c1-3-5-6-7-8-11-16(17-12-4-2)15-10-9-13-18-14-15/h3,15-17H,1,4-14H2,2H3
InChIKeyPMHCAGHAUBWCNI-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.92
Rot. Bonds10

About 1-(oxan-3-yl)-N-propyloct-7-en-1-amine

1-(oxan-3-yl)-N-propyloct-7-en-1-amine (PubChem CID 107009211) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-(oxan-3-yl)-N-propyloct-7-en-1-amine.

Molecular Properties

Compound Name1-(oxan-3-yl)-N-propyloct-7-en-1-amine
PubChem CID107009211
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-(oxan-3-yl)-N-propyloct-7-en-1-amine
SMILESC=CCCCCCC(NCCC)C1CCCOC1
InChIInChI=1S/C16H31NO/c1-3-5-6-7-8-11-16(17-12-4-2)15-10-9-13-18-14-15/h3,15-17H,1,4-14H2,2H3
InChIKeyPMHCAGHAUBWCNI-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.92
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-(oxolan-3-yl)-N-propylhex-5-en-1-amine
CID 65329434
1-(oxan-3-yl)-N-propyldecan-1-amine
CID 65332318
5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 113327066
4-methylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 65333768
1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65333769
N-ethyl-1-(oxan-3-yl)pentan-1-amine
CID 65331760
1-(oxolan-3-yl)-N-propylbut-3-en-1-amine
CID 65330642
1-cyclobutyl-N-propyldodecan-1-amine
CID 105049365
3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 107139233
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine
CID 105153083
N-[2-cyclopentylsulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine
CID 107136426
N-[2-[(2-methylpropan-2-yl)oxy]-1-(oxan-3-yl)ethyl]propan-1-amine
CID 107139090

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-N-propyloct-7-en-1-amine?
The IUPAC name of 1-(oxan-3-yl)-N-propyloct-7-en-1-amine (CID 107009211) is 1-(oxan-3-yl)-N-propyloct-7-en-1-amine.
What is the SMILES notation for 1-(oxan-3-yl)-N-propyloct-7-en-1-amine?
The canonical SMILES for 1-(oxan-3-yl)-N-propyloct-7-en-1-amine is C=CCCCCCC(NCCC)C1CCCOC1.
What is the InChIKey of 1-(oxan-3-yl)-N-propyloct-7-en-1-amine?
The InChIKey is PMHCAGHAUBWCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-3-5-6-7-8-11-16(17-12-4-2)15-10-9-13-18-14-15/h3,15-17H,1,4-14H2,2H3.
What are the key properties of 1-(oxan-3-yl)-N-propyloct-7-en-1-amine?
1-(oxan-3-yl)-N-propyloct-7-en-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-N-propyloct-7-en-1-amine is sourced from PubChem (CID 107009211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).