N-(2-fluoroethyl)-N,1,4-trimethyl-4-propan-2-ylcyclohex-2-en-1-amine

C14H26FN — CID 134375785

IUPACN-(2-fluoroethyl)-N,1,4-trimethyl-4-propan-2-ylcyclohex-2-en-1-amine
SMILESCC(C)C1(C)C=CC(C)(N(C)CCF)CC1
InChIInChI=1S/C14H26FN/c1-12(2)13(3)6-8-14(4,9-7-13)16(5)11-10-15/h6,8,12H,7,9-11H2,1-5H3
InChIKeyVAQHEWILJOJOHU-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.66
Rot. Bonds4

About N-(2-fluoroethyl)-N,1,4-trimethyl-4-propan-2-ylcyclohex-2-en-1-amine

N-(2-fluoroethyl)-N,1,4-trimethyl-4-propan-2-ylcyclohex-2-en-1-amine (PubChem CID 134375785) has the molecular formula C14H26FN and a molecular weight of 227.37 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N,1,4-trimethyl-4-propan-2-ylcyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N,1,4-trimethyl-4-propan-2-ylcyclohex-2-en-1-amine
PubChem CID134375785
Molecular FormulaC14H26FN
Molecular Weight227.37 g/mol
Exact Mass227.20
IUPAC NameN-(2-fluoroethyl)-N,1,4-trimethyl-4-propan-2-ylcyclohex-2-en-1-amine
SMILESCC(C)C1(C)C=CC(C)(N(C)CCF)CC1
InChIInChI=1S/C14H26FN/c1-12(2)13(3)6-8-14(4,9-7-13)16(5)11-10-15/h6,8,12H,7,9-11H2,1-5H3
InChIKeyVAQHEWILJOJOHU-UHFFFAOYSA-N
XLogP3.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
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-(2-fluoroethyl)-N,1,4-trimethyl-4-propan-2-ylcyclohex-2-en-1-amine?
The IUPAC name of N-(2-fluoroethyl)-N,1,4-trimethyl-4-propan-2-ylcyclohex-2-en-1-amine (CID 134375785) is N-(2-fluoroethyl)-N,1,4-trimethyl-4-propan-2-ylcyclohex-2-en-1-amine.
What is the SMILES notation for N-(2-fluoroethyl)-N,1,4-trimethyl-4-propan-2-ylcyclohex-2-en-1-amine?
The canonical SMILES for N-(2-fluoroethyl)-N,1,4-trimethyl-4-propan-2-ylcyclohex-2-en-1-amine is CC(C)C1(C)C=CC(C)(N(C)CCF)CC1.
What is the InChIKey of N-(2-fluoroethyl)-N,1,4-trimethyl-4-propan-2-ylcyclohex-2-en-1-amine?
The InChIKey is VAQHEWILJOJOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FN/c1-12(2)13(3)6-8-14(4,9-7-13)16(5)11-10-15/h6,8,12H,7,9-11H2,1-5H3.
What are the key properties of N-(2-fluoroethyl)-N,1,4-trimethyl-4-propan-2-ylcyclohex-2-en-1-amine?
N-(2-fluoroethyl)-N,1,4-trimethyl-4-propan-2-ylcyclohex-2-en-1-amine has a molecular weight of 227.37 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N,1,4-trimethyl-4-propan-2-ylcyclohex-2-en-1-amine is sourced from PubChem (CID 134375785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).