1-(oxan-3-yl)-N-propylhex-5-en-1-amine

C14H27NO — CID 65333411

IUPAC1-(oxan-3-yl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)C1CCCOC1
InChIInChI=1S/C14H27NO/c1-3-5-6-9-14(15-10-4-2)13-8-7-11-16-12-13/h3,13-15H,1,4-12H2,2H3
InChIKeyVSIKWNVMUGPIBR-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.14
Rot. Bonds8

About 1-(oxan-3-yl)-N-propylhex-5-en-1-amine

1-(oxan-3-yl)-N-propylhex-5-en-1-amine (PubChem CID 65333411) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(oxan-3-yl)-N-propylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(oxan-3-yl)-N-propylhex-5-en-1-amine
PubChem CID65333411
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(oxan-3-yl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)C1CCCOC1
InChIInChI=1S/C14H27NO/c1-3-5-6-9-14(15-10-4-2)13-8-7-11-16-12-13/h3,13-15H,1,4-12H2,2H3
InChIKeyVSIKWNVMUGPIBR-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
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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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-N-propylhex-5-en-1-amine?
The IUPAC name of 1-(oxan-3-yl)-N-propylhex-5-en-1-amine (CID 65333411) is 1-(oxan-3-yl)-N-propylhex-5-en-1-amine.
What is the SMILES notation for 1-(oxan-3-yl)-N-propylhex-5-en-1-amine?
The canonical SMILES for 1-(oxan-3-yl)-N-propylhex-5-en-1-amine is C=CCCCC(NCCC)C1CCCOC1.
What is the InChIKey of 1-(oxan-3-yl)-N-propylhex-5-en-1-amine?
The InChIKey is VSIKWNVMUGPIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-5-6-9-14(15-10-4-2)13-8-7-11-16-12-13/h3,13-15H,1,4-12H2,2H3.
What are the key properties of 1-(oxan-3-yl)-N-propylhex-5-en-1-amine?
1-(oxan-3-yl)-N-propylhex-5-en-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.14, 8 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-propylhex-5-en-1-amine is sourced from PubChem (CID 65333411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).