1-(4,4-difluorocyclohexyl)-N-propyloct-7-en-1-amine

C17H31F2N — CID 107011551

IUPAC1-(4,4-difluorocyclohexyl)-N-propyloct-7-en-1-amine
SMILESC=CCCCCCC(NCCC)C1CCC(F)(F)CC1
InChIInChI=1S/C17H31F2N/c1-3-5-6-7-8-9-16(20-14-4-2)15-10-12-17(18,19)13-11-15/h3,15-16,20H,1,4-14H2,2H3
InChIKeyDBPPLDIECNXVJG-UHFFFAOYSA-N
MW287.44 g/mol
LogP5.32
Rot. Bonds10

About 1-(4,4-difluorocyclohexyl)-N-propyloct-7-en-1-amine

1-(4,4-difluorocyclohexyl)-N-propyloct-7-en-1-amine (PubChem CID 107011551) has the molecular formula C17H31F2N and a molecular weight of 287.44 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-N-propyloct-7-en-1-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-N-propyloct-7-en-1-amine
PubChem CID107011551
Molecular FormulaC17H31F2N
Molecular Weight287.44 g/mol
Exact Mass287.24
IUPAC Name1-(4,4-difluorocyclohexyl)-N-propyloct-7-en-1-amine
SMILESC=CCCCCCC(NCCC)C1CCC(F)(F)CC1
InChIInChI=1S/C17H31F2N/c1-3-5-6-7-8-9-16(20-14-4-2)15-10-12-17(18,19)13-11-15/h3,15-16,20H,1,4-14H2,2H3
InChIKeyDBPPLDIECNXVJG-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.44
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(4,4-difluorocyclohexyl)-N-propyloct-7-en-1-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-N-propyloct-7-en-1-amine (CID 107011551) is 1-(4,4-difluorocyclohexyl)-N-propyloct-7-en-1-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-N-propyloct-7-en-1-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-N-propyloct-7-en-1-amine is C=CCCCCCC(NCCC)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-N-propyloct-7-en-1-amine?
The InChIKey is DBPPLDIECNXVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31F2N/c1-3-5-6-7-8-9-16(20-14-4-2)15-10-12-17(18,19)13-11-15/h3,15-16,20H,1,4-14H2,2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-N-propyloct-7-en-1-amine?
1-(4,4-difluorocyclohexyl)-N-propyloct-7-en-1-amine has a molecular weight of 287.44 g/mol, XLogP of 5.32, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-N-propyloct-7-en-1-amine is sourced from PubChem (CID 107011551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).