1-[(1R)-3-[(1R)-1-fluoroethyl]cyclohex-3-en-1-yl]-N-methylmethanamine

C10H18FN — CID 174326757

IUPAC1-[(1R)-3-[(1R)-1-fluoroethyl]cyclohex-3-en-1-yl]-N-methylmethanamine
SMILESCNC[C@@H]1CCC=C([C@@H](C)F)C1
InChIInChI=1S/C10H18FN/c1-8(11)10-5-3-4-9(6-10)7-12-2/h5,8-9,12H,3-4,6-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyKZYKGNJMQFEAOT-RKDXNWHRSA-N
MW171.26 g/mol
LogP2.29
Rot. Bonds3

About 1-[(1R)-3-[(1R)-1-fluoroethyl]cyclohex-3-en-1-yl]-N-methylmethanamine

1-[(1R)-3-[(1R)-1-fluoroethyl]cyclohex-3-en-1-yl]-N-methylmethanamine (PubChem CID 174326757) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-[(1R)-3-[(1R)-1-fluoroethyl]cyclohex-3-en-1-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(1R)-3-[(1R)-1-fluoroethyl]cyclohex-3-en-1-yl]-N-methylmethanamine
PubChem CID174326757
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name1-[(1R)-3-[(1R)-1-fluoroethyl]cyclohex-3-en-1-yl]-N-methylmethanamine
SMILESCNC[C@@H]1CCC=C([C@@H](C)F)C1
InChIInChI=1S/C10H18FN/c1-8(11)10-5-3-4-9(6-10)7-12-2/h5,8-9,12H,3-4,6-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyKZYKGNJMQFEAOT-RKDXNWHRSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.29
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 1-[(1R)-3-[(1R)-1-fluoroethyl]cyclohex-3-en-1-yl]-N-methylmethanamine?
The IUPAC name of 1-[(1R)-3-[(1R)-1-fluoroethyl]cyclohex-3-en-1-yl]-N-methylmethanamine (CID 174326757) is 1-[(1R)-3-[(1R)-1-fluoroethyl]cyclohex-3-en-1-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(1R)-3-[(1R)-1-fluoroethyl]cyclohex-3-en-1-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(1R)-3-[(1R)-1-fluoroethyl]cyclohex-3-en-1-yl]-N-methylmethanamine is CNC[C@@H]1CCC=C([C@@H](C)F)C1.
What is the InChIKey of 1-[(1R)-3-[(1R)-1-fluoroethyl]cyclohex-3-en-1-yl]-N-methylmethanamine?
The InChIKey is KZYKGNJMQFEAOT-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H18FN/c1-8(11)10-5-3-4-9(6-10)7-12-2/h5,8-9,12H,3-4,6-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of 1-[(1R)-3-[(1R)-1-fluoroethyl]cyclohex-3-en-1-yl]-N-methylmethanamine?
1-[(1R)-3-[(1R)-1-fluoroethyl]cyclohex-3-en-1-yl]-N-methylmethanamine has a molecular weight of 171.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-[(1R)-1-fluoroethyl]cyclohex-3-en-1-yl]-N-methylmethanamine is sourced from PubChem (CID 174326757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).