N-(3-fluoro-3-methylbutyl)cyclohexanamine

C11H22FN — CID 84661119

IUPACN-(3-fluoro-3-methylbutyl)cyclohexanamine
SMILESCC(C)(F)CCNC1CCCCC1
InChIInChI=1S/C11H22FN/c1-11(2,12)8-9-13-10-6-4-3-5-7-10/h10,13H,3-9H2,1-2H3
InChIKeyRQCHLVKKTFXLEL-UHFFFAOYSA-N
MW187.30 g/mol
LogP3.05
Rot. Bonds4

About N-(3-fluoro-3-methylbutyl)cyclohexanamine

N-(3-fluoro-3-methylbutyl)cyclohexanamine (PubChem CID 84661119) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is N-(3-fluoro-3-methylbutyl)cyclohexanamine.

Molecular Properties

Compound NameN-(3-fluoro-3-methylbutyl)cyclohexanamine
PubChem CID84661119
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC NameN-(3-fluoro-3-methylbutyl)cyclohexanamine
SMILESCC(C)(F)CCNC1CCCCC1
InChIInChI=1S/C11H22FN/c1-11(2,12)8-9-13-10-6-4-3-5-7-10/h10,13H,3-9H2,1-2H3
InChIKeyRQCHLVKKTFXLEL-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5,5-dimethylhexyl)cyclohexanamine
CID 58974848
4-(cyclooctylamino)-2,2-dimethylbutanoic acid
CID 122084393
N,N'-dicyclohexyl-2,4,4-trimethylhexane-1,6-diamine
CID 70372023
4-(cyclohexylamino)-2-phenylbutan-2-ol
CID 12512269
4-tert-butyl-N-(4,4,4-trifluorobutyl)cycloheptan-1-amine
CID 115516563
N-(2,2-dimethylpropyl)cyclododecanamine
CID 63452276
N-(2-cycloundecylethyl)cyclodecanamine
CID 155180877
N-(2-cycloheptylethyl)cyclopentanamine
CID 114457795
azane;N-propylcyclohexanamine
CID 19368218
N-propylcyclohexanamine;hydrochloride
CID 17370003
4-propan-2-yl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
CID 65091618
5-(cycloheptylamino)-2,2-dimethylpentanenitrile
CID 65254456

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-3-methylbutyl)cyclohexanamine?
The IUPAC name of N-(3-fluoro-3-methylbutyl)cyclohexanamine (CID 84661119) is N-(3-fluoro-3-methylbutyl)cyclohexanamine.
What is the SMILES notation for N-(3-fluoro-3-methylbutyl)cyclohexanamine?
The canonical SMILES for N-(3-fluoro-3-methylbutyl)cyclohexanamine is CC(C)(F)CCNC1CCCCC1.
What is the InChIKey of N-(3-fluoro-3-methylbutyl)cyclohexanamine?
The InChIKey is RQCHLVKKTFXLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-11(2,12)8-9-13-10-6-4-3-5-7-10/h10,13H,3-9H2,1-2H3.
What are the key properties of N-(3-fluoro-3-methylbutyl)cyclohexanamine?
N-(3-fluoro-3-methylbutyl)cyclohexanamine has a molecular weight of 187.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-3-methylbutyl)cyclohexanamine is sourced from PubChem (CID 84661119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).