N-cyclopropyl-2-fluoro-5-methylidenecyclohexan-1-amine

C10H16FN — CID 90976451

IUPACN-cyclopropyl-2-fluoro-5-methylidenecyclohexan-1-amine
SMILESC=C1CCC(F)C(NC2CC2)C1
InChIInChI=1S/C10H16FN/c1-7-2-5-9(11)10(6-7)12-8-3-4-8/h8-10,12H,1-6H2
InChIKeyXLFOCJLZFFVGPT-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.19
Rot. Bonds2

About N-cyclopropyl-2-fluoro-5-methylidenecyclohexan-1-amine

N-cyclopropyl-2-fluoro-5-methylidenecyclohexan-1-amine (PubChem CID 90976451) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-5-methylidenecyclohexan-1-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-5-methylidenecyclohexan-1-amine
PubChem CID90976451
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC NameN-cyclopropyl-2-fluoro-5-methylidenecyclohexan-1-amine
SMILESC=C1CCC(F)C(NC2CC2)C1
InChIInChI=1S/C10H16FN/c1-7-2-5-9(11)10(6-7)12-8-3-4-8/h8-10,12H,1-6H2
InChIKeyXLFOCJLZFFVGPT-UHFFFAOYSA-N
XLogP2.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-5-methylidenecyclohexan-1-amine?
The IUPAC name of N-cyclopropyl-2-fluoro-5-methylidenecyclohexan-1-amine (CID 90976451) is N-cyclopropyl-2-fluoro-5-methylidenecyclohexan-1-amine.
What is the SMILES notation for N-cyclopropyl-2-fluoro-5-methylidenecyclohexan-1-amine?
The canonical SMILES for N-cyclopropyl-2-fluoro-5-methylidenecyclohexan-1-amine is C=C1CCC(F)C(NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-2-fluoro-5-methylidenecyclohexan-1-amine?
The InChIKey is XLFOCJLZFFVGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-7-2-5-9(11)10(6-7)12-8-3-4-8/h8-10,12H,1-6H2.
What are the key properties of N-cyclopropyl-2-fluoro-5-methylidenecyclohexan-1-amine?
N-cyclopropyl-2-fluoro-5-methylidenecyclohexan-1-amine has a molecular weight of 169.24 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-5-methylidenecyclohexan-1-amine is sourced from PubChem (CID 90976451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).