N-(2-cycloheptyl-2-fluoroethyl)-2-methylpropan-2-amine

C13H26FN — CID 107446700

IUPACN-(2-cycloheptyl-2-fluoroethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)C1CCCCCC1
InChIInChI=1S/C13H26FN/c1-13(2,3)15-10-12(14)11-8-6-4-5-7-9-11/h11-12,15H,4-10H2,1-3H3
InChIKeySEPXZUPIOCHQBC-UHFFFAOYSA-N
MW215.36 g/mol
LogP3.68
Rot. Bonds3

About N-(2-cycloheptyl-2-fluoroethyl)-2-methylpropan-2-amine

N-(2-cycloheptyl-2-fluoroethyl)-2-methylpropan-2-amine (PubChem CID 107446700) has the molecular formula C13H26FN and a molecular weight of 215.36 g/mol. Its IUPAC name is N-(2-cycloheptyl-2-fluoroethyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(2-cycloheptyl-2-fluoroethyl)-2-methylpropan-2-amine
PubChem CID107446700
Molecular FormulaC13H26FN
Molecular Weight215.36 g/mol
Exact Mass215.20
IUPAC NameN-(2-cycloheptyl-2-fluoroethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)C1CCCCCC1
InChIInChI=1S/C13H26FN/c1-13(2,3)15-10-12(14)11-8-6-4-5-7-9-11/h11-12,15H,4-10H2,1-3H3
InChIKeySEPXZUPIOCHQBC-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-cyclohexyl-2-fluoropropyl)-2-methylpropan-2-amine
CID 107446536
(2R)-2-cyclobutyl-2-fluoro-N-methylethanamine
CID 129462289
N-tert-butyl-2-cyclopentyl-5,5-dimethylhexan-1-amine
CID 112570105
1-fluoropropylcyclohexane
CID 175482470
N-tert-butyl-2-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 63522044
N-(2-cycloheptyl-2-pyridin-4-ylethyl)-2-methylpropan-2-amine
CID 82936677
N-[2-cyclohexyloxy-2-(2-fluorophenyl)ethyl]-2-methylpropan-2-amine
CID 62106464
N-tert-butyl-2-cyclopentyloxy-3-methylbutan-1-amine
CID 62446329
N-[2-(2-bromophenyl)-2-cyclohexylethyl]-2-methylpropan-2-amine
CID 82933829
N'-tert-butyl-N-[(1S)-1-cyclopentylethyl]ethane-1,2-diamine
CID 107445909
N-tert-butyl-2-cyclopentyl-5-methylsulfonylpentan-1-amine
CID 112570097
N-tert-butyl-2-cyclopentyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106730376

Frequently Asked Questions

What is the IUPAC name of N-(2-cycloheptyl-2-fluoroethyl)-2-methylpropan-2-amine?
The IUPAC name of N-(2-cycloheptyl-2-fluoroethyl)-2-methylpropan-2-amine (CID 107446700) is N-(2-cycloheptyl-2-fluoroethyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(2-cycloheptyl-2-fluoroethyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(2-cycloheptyl-2-fluoroethyl)-2-methylpropan-2-amine is CC(C)(C)NCC(F)C1CCCCCC1.
What is the InChIKey of N-(2-cycloheptyl-2-fluoroethyl)-2-methylpropan-2-amine?
The InChIKey is SEPXZUPIOCHQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FN/c1-13(2,3)15-10-12(14)11-8-6-4-5-7-9-11/h11-12,15H,4-10H2,1-3H3.
What are the key properties of N-(2-cycloheptyl-2-fluoroethyl)-2-methylpropan-2-amine?
N-(2-cycloheptyl-2-fluoroethyl)-2-methylpropan-2-amine has a molecular weight of 215.36 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cycloheptyl-2-fluoroethyl)-2-methylpropan-2-amine is sourced from PubChem (CID 107446700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).