4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohex-3-en-1-amine

C15H26FN — CID 165043347

IUPAC4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohex-3-en-1-amine
SMILESCC1(F)CC(NC2CC=C(C(C)(C)C)CC2)C1
InChIInChI=1S/C15H26FN/c1-14(2,3)11-5-7-12(8-6-11)17-13-9-15(4,16)10-13/h5,12-13,17H,6-10H2,1-4H3
InChIKeyOMNOBWTWWOSPNC-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.99
Rot. Bonds2

About 4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohex-3-en-1-amine

4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohex-3-en-1-amine (PubChem CID 165043347) has the molecular formula C15H26FN and a molecular weight of 239.38 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohex-3-en-1-amine
PubChem CID165043347
Molecular FormulaC15H26FN
Molecular Weight239.38 g/mol
Exact Mass239.20
IUPAC Name4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohex-3-en-1-amine
SMILESCC1(F)CC(NC2CC=C(C(C)(C)C)CC2)C1
InChIInChI=1S/C15H26FN/c1-14(2,3)11-5-7-12(8-6-11)17-13-9-15(4,16)10-13/h5,12-13,17H,6-10H2,1-4H3
InChIKeyOMNOBWTWWOSPNC-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(4-Fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 118448092
5-fluoro-N,5,8,8-tetramethylcyclooct-2-en-1-amine
CID 123908512
6-(4-Fluoro-6-methylcyclohept-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 139453704
6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-5-methyl-1,2,3,6-tetrahydropyridine
CID 139453705
N-(2-fluoropropyl)-4-methylcyclohex-3-en-1-amine
CID 154694573
4-tert-butyl-N-(3,3-difluorocyclobutyl)cyclohex-3-en-1-amine
CID 164769180
4-tert-butyl-N-(2-fluoropropyl)cyclohex-3-en-1-amine
CID 164769231
(1S)-4-tert-butyl-N-(1-fluoropropan-2-yl)cyclohex-3-en-1-amine
CID 167068199
(1R)-4-tert-butyl-N-(2-fluoroethyl)cyclohex-3-en-1-amine
CID 167068204
(1R)-4-tert-butyl-N-(1-fluoropropan-2-yl)cyclohex-3-en-1-amine
CID 167068207
(1S)-4-tert-butyl-N-(2-fluoropropyl)cyclohex-3-en-1-amine
CID 167068254
4-tert-butyl-N-(2-fluoroethyl)cyclohex-3-en-1-amine
CID 167068269

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohex-3-en-1-amine?
The IUPAC name of 4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohex-3-en-1-amine (CID 165043347) is 4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohex-3-en-1-amine.
What is the SMILES notation for 4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohex-3-en-1-amine?
The canonical SMILES for 4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohex-3-en-1-amine is CC1(F)CC(NC2CC=C(C(C)(C)C)CC2)C1.
What is the InChIKey of 4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohex-3-en-1-amine?
The InChIKey is OMNOBWTWWOSPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN/c1-14(2,3)11-5-7-12(8-6-11)17-13-9-15(4,16)10-13/h5,12-13,17H,6-10H2,1-4H3.
What are the key properties of 4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohex-3-en-1-amine?
4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohex-3-en-1-amine has a molecular weight of 239.38 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-fluoro-3-methylcyclobutyl)cyclohex-3-en-1-amine is sourced from PubChem (CID 165043347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).