N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine

C12H24FN — CID 130659104

IUPACN-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(NC(C)(C)CF)C1
InChIInChI=1S/C12H24FN/c1-9-5-10(2)7-11(6-9)14-12(3,4)8-13/h9-11,14H,5-8H2,1-4H3
InChIKeyPICQUVCKMMGFRK-UHFFFAOYSA-N
MW201.33 g/mol
LogP3.15
Rot. Bonds3

About N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine

N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine (PubChem CID 130659104) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine
PubChem CID130659104
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC NameN-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(NC(C)(C)CF)C1
InChIInChI=1S/C12H24FN/c1-9-5-10(2)7-11(6-9)14-12(3,4)8-13/h9-11,14H,5-8H2,1-4H3
InChIKeyPICQUVCKMMGFRK-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3,5-dimethylcyclohexyl)amino]-2-methylpropan-1-ol
CID 64724437
3-[(3,5-dimethylcyclohexyl)amino]-2,3-dimethylbutan-2-ol
CID 106185254
3,5-dimethyl-N-(3-methylcyclobutyl)cyclohexan-1-amine
CID 115751638
2-[(3,5-dimethylcyclohexyl)amino]-2-methylpentanoic acid
CID 64728456
2-[(3,5-dimethylcyclohexyl)amino]-2-phenylpropan-1-ol
CID 115907198
N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64722982
2-bromo-N-(3,5-dimethylcyclohexyl)acetamide
CID 64733863
6-amino-N-(3,5-dimethylcyclohexyl)-4,4-dimethylhexanamide
CID 65291109
N-(4-methoxy-4-methylpentan-2-yl)-3,5-dimethylcyclohexan-1-amine
CID 64732467
2-[(3,5-dimethylcyclohexyl)amino]ethanol
CID 64723200
trans-(3S,5S)-3,5-dimethyl-N-pentan-3-ylcyclohexan-1-amine
CID 96732201
3,5-dimethyl-N-prop-2-ynoxycyclohexan-1-amine
CID 130674258

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine (CID 130659104) is N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine is CC1CC(C)CC(NC(C)(C)CF)C1.
What is the InChIKey of N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine?
The InChIKey is PICQUVCKMMGFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FN/c1-9-5-10(2)7-11(6-9)14-12(3,4)8-13/h9-11,14H,5-8H2,1-4H3.
What are the key properties of N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine?
N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine has a molecular weight of 201.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 130659104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).