4-[4-[(Z)-2-fluoroprop-1-enyl]cyclohexyl]-N-methylcyclohexan-1-amine

C16H28FN — CID 131968619

IUPAC4-[4-[(Z)-2-fluoroprop-1-enyl]cyclohexyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C2CCC(/C=C(/C)F)CC2)CC1
InChIInChI=1S/C16H28FN/c1-12(17)11-13-3-5-14(6-4-13)15-7-9-16(18-2)10-8-15/h11,13-16,18H,3-10H2,1-2H3/b12-11-
InChIKeyOHMLUTMRXGDRKG-QXMHVHEDSA-N
MW253.40 g/mol
LogP4.44
Rot. Bonds3

About 4-[4-[(Z)-2-fluoroprop-1-enyl]cyclohexyl]-N-methylcyclohexan-1-amine

4-[4-[(Z)-2-fluoroprop-1-enyl]cyclohexyl]-N-methylcyclohexan-1-amine (PubChem CID 131968619) has the molecular formula C16H28FN and a molecular weight of 253.40 g/mol. Its IUPAC name is 4-[4-[(Z)-2-fluoroprop-1-enyl]cyclohexyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-[(Z)-2-fluoroprop-1-enyl]cyclohexyl]-N-methylcyclohexan-1-amine
PubChem CID131968619
Molecular FormulaC16H28FN
Molecular Weight253.40 g/mol
Exact Mass253.22
IUPAC Name4-[4-[(Z)-2-fluoroprop-1-enyl]cyclohexyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C2CCC(/C=C(/C)F)CC2)CC1
InChIInChI=1S/C16H28FN/c1-12(17)11-13-3-5-14(6-4-13)15-7-9-16(18-2)10-8-15/h11,13-16,18H,3-10H2,1-2H3/b12-11-
InChIKeyOHMLUTMRXGDRKG-QXMHVHEDSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(Z)-2-fluoroprop-1-enyl]cyclohexyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[4-[(Z)-2-fluoroprop-1-enyl]cyclohexyl]-N-methylcyclohexan-1-amine (CID 131968619) is 4-[4-[(Z)-2-fluoroprop-1-enyl]cyclohexyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[4-[(Z)-2-fluoroprop-1-enyl]cyclohexyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[4-[(Z)-2-fluoroprop-1-enyl]cyclohexyl]-N-methylcyclohexan-1-amine is CNC1CCC(C2CCC(/C=C(/C)F)CC2)CC1.
What is the InChIKey of 4-[4-[(Z)-2-fluoroprop-1-enyl]cyclohexyl]-N-methylcyclohexan-1-amine?
The InChIKey is OHMLUTMRXGDRKG-QXMHVHEDSA-N. The full InChI is InChI=1S/C16H28FN/c1-12(17)11-13-3-5-14(6-4-13)15-7-9-16(18-2)10-8-15/h11,13-16,18H,3-10H2,1-2H3/b12-11-.
What are the key properties of 4-[4-[(Z)-2-fluoroprop-1-enyl]cyclohexyl]-N-methylcyclohexan-1-amine?
4-[4-[(Z)-2-fluoroprop-1-enyl]cyclohexyl]-N-methylcyclohexan-1-amine has a molecular weight of 253.40 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(Z)-2-fluoroprop-1-enyl]cyclohexyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 131968619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).