3-fluoro-3-(2-methylbutyl)cyclohexan-1-amine

C11H22FN — CID 112567368

IUPAC3-fluoro-3-(2-methylbutyl)cyclohexan-1-amine
SMILESCCC(C)CC1(F)CCCC(N)C1
InChIInChI=1S/C11H22FN/c1-3-9(2)7-11(12)6-4-5-10(13)8-11/h9-10H,3-8,13H2,1-2H3
InChIKeyZBAKYTZFKAKXIZ-UHFFFAOYSA-N
MW187.30 g/mol
LogP3.03
Rot. Bonds3

About 3-fluoro-3-(2-methylbutyl)cyclohexan-1-amine

3-fluoro-3-(2-methylbutyl)cyclohexan-1-amine (PubChem CID 112567368) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 3-fluoro-3-(2-methylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(2-methylbutyl)cyclohexan-1-amine
PubChem CID112567368
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name3-fluoro-3-(2-methylbutyl)cyclohexan-1-amine
SMILESCCC(C)CC1(F)CCCC(N)C1
InChIInChI=1S/C11H22FN/c1-3-9(2)7-11(12)6-4-5-10(13)8-11/h9-10H,3-8,13H2,1-2H3
InChIKeyZBAKYTZFKAKXIZ-UHFFFAOYSA-N
XLogP3.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-3-(2-methylbutyl)cyclopentan-1-amine
CID 116538708
3-fluoro-3-pentan-3-ylcyclohexan-1-amine
CID 112567492
3-fluoro-3-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 112567440
3,3-difluorocyclohexan-1-amine;hydrochloride
CID 71711147
cis-(1R,3S)-1-fluoro-3-methyl-1-(2-methylpropyl)cyclohexane
CID 121406278
3-[(3,5-difluorophenyl)methyl]-3-fluorocyclohexan-1-amine
CID 105411759
(1R)-3,3-difluorocycloheptan-1-amine
CID 97055145
3-methyl-3-propan-2-ylcyclohexan-1-amine
CID 19888682
3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine
CID 112567654
tert-butyl N-[(3-amino-1-fluorocyclohexyl)methyl]carbamate
CID 130067864
3-fluoro-3-[(2-methylpropylamino)methyl]cyclopentan-1-amine
CID 105443345
3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 112567589

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2-methylbutyl)cyclohexan-1-amine?
The IUPAC name of 3-fluoro-3-(2-methylbutyl)cyclohexan-1-amine (CID 112567368) is 3-fluoro-3-(2-methylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 3-fluoro-3-(2-methylbutyl)cyclohexan-1-amine?
The canonical SMILES for 3-fluoro-3-(2-methylbutyl)cyclohexan-1-amine is CCC(C)CC1(F)CCCC(N)C1.
What is the InChIKey of 3-fluoro-3-(2-methylbutyl)cyclohexan-1-amine?
The InChIKey is ZBAKYTZFKAKXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-3-9(2)7-11(12)6-4-5-10(13)8-11/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 3-fluoro-3-(2-methylbutyl)cyclohexan-1-amine?
3-fluoro-3-(2-methylbutyl)cyclohexan-1-amine has a molecular weight of 187.30 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2-methylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 112567368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).