(1R)-4-tert-butyl-N-(2-fluoroethyl)cyclohex-3-en-1-amine

C12H22FN — CID 167068204

IUPAC(1R)-4-tert-butyl-N-(2-fluoroethyl)cyclohex-3-en-1-amine
SMILESCC(C)(C)C1=CC[C@H](NCCF)CC1
InChIInChI=1S/C12H22FN/c1-12(2,3)10-4-6-11(7-5-10)14-9-8-13/h4,11,14H,5-9H2,1-3H3/t11-/m0/s1
InChIKeyQBLXAMRYHSDQLV-NSHDSACASA-N
MW199.31 g/mol
LogP3.07
Rot. Bonds3

About (1R)-4-tert-butyl-N-(2-fluoroethyl)cyclohex-3-en-1-amine

(1R)-4-tert-butyl-N-(2-fluoroethyl)cyclohex-3-en-1-amine (PubChem CID 167068204) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is (1R)-4-tert-butyl-N-(2-fluoroethyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name(1R)-4-tert-butyl-N-(2-fluoroethyl)cyclohex-3-en-1-amine
PubChem CID167068204
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name(1R)-4-tert-butyl-N-(2-fluoroethyl)cyclohex-3-en-1-amine
SMILESCC(C)(C)C1=CC[C@H](NCCF)CC1
InChIInChI=1S/C12H22FN/c1-12(2,3)10-4-6-11(7-5-10)14-9-8-13/h4,11,14H,5-9H2,1-3H3/t11-/m0/s1
InChIKeyQBLXAMRYHSDQLV-NSHDSACASA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R)-4-tert-butyl-N-(2-fluoroethyl)cyclohex-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-4-tert-butyl-N-(2-fluoroethyl)cyclohex-3-en-1-amine?
The IUPAC name of (1R)-4-tert-butyl-N-(2-fluoroethyl)cyclohex-3-en-1-amine (CID 167068204) is (1R)-4-tert-butyl-N-(2-fluoroethyl)cyclohex-3-en-1-amine.
What is the SMILES notation for (1R)-4-tert-butyl-N-(2-fluoroethyl)cyclohex-3-en-1-amine?
The canonical SMILES for (1R)-4-tert-butyl-N-(2-fluoroethyl)cyclohex-3-en-1-amine is CC(C)(C)C1=CC[C@H](NCCF)CC1.
What is the InChIKey of (1R)-4-tert-butyl-N-(2-fluoroethyl)cyclohex-3-en-1-amine?
The InChIKey is QBLXAMRYHSDQLV-NSHDSACASA-N. The full InChI is InChI=1S/C12H22FN/c1-12(2,3)10-4-6-11(7-5-10)14-9-8-13/h4,11,14H,5-9H2,1-3H3/t11-/m0/s1.
What are the key properties of (1R)-4-tert-butyl-N-(2-fluoroethyl)cyclohex-3-en-1-amine?
(1R)-4-tert-butyl-N-(2-fluoroethyl)cyclohex-3-en-1-amine has a molecular weight of 199.31 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-tert-butyl-N-(2-fluoroethyl)cyclohex-3-en-1-amine is sourced from PubChem (CID 167068204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).