cis-(1S,2S)-2-fluoro-3,3,5,5-tetramethylcyclohexan-1-amine

C10H20FN — CID 125452257

IUPACcis-(1S,2S)-2-fluoro-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCC1(C)C[C@H](N)[C@@H](F)C(C)(C)C1
InChIInChI=1S/C10H20FN/c1-9(2)5-7(12)8(11)10(3,4)6-9/h7-8H,5-6,12H2,1-4H3/t7-,8+/m0/s1
InChIKeyYEFNUZGEEYCIKY-JGVFFNPUSA-N
MW173.27 g/mol
LogP2.50
Rot. Bonds

About cis-(1S,2S)-2-fluoro-3,3,5,5-tetramethylcyclohexan-1-amine

cis-(1S,2S)-2-fluoro-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 125452257) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,2S)-2-fluoro-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID125452257
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Namecis-(1S,2S)-2-fluoro-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCC1(C)C[C@H](N)[C@@H](F)C(C)(C)C1
InChIInChI=1S/C10H20FN/c1-9(2)5-7(12)8(11)10(3,4)6-9/h7-8H,5-6,12H2,1-4H3/t7-,8+/m0/s1
InChIKeyYEFNUZGEEYCIKY-JGVFFNPUSA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methanamine;3,3,5,5-tetramethylcyclohexan-1-amine
CID 144937485
1-methylcyclopropane-1,2-diamine
CID 15182447
1,4,4-trimethylcyclopentane-1,3-diamine
CID 112757488
(3S)-1,1,2,3,5,5-hexamethylcyclohexane
CID 164756957
3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride
CID 141116426
3,3-dimethylcyclobutan-1-amine
CID 14988402
5,5,7-trimethylspiro[2.4]heptan-2-amine
CID 106663995
1,1,2,5,5-pentamethyl-3-propylcyclohexane
CID 59420056
5,5,7,7-tetramethylspiro[2.5]octan-2-amine
CID 103961210
cis-(1R,2S)-2-amino-4,4-dimethylcyclohexan-1-ol
CID 55291251
cis-(1R,2S)-2,5,5-trimethylcyclohexan-1-amine;hydrochloride
CID 141264865
3-fluoro-8,8-dimethyl-6,10-dioxaspiro[4.5]decan-2-amine
CID 139348943

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluoro-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of cis-(1S,2S)-2-fluoro-3,3,5,5-tetramethylcyclohexan-1-amine (CID 125452257) is cis-(1S,2S)-2-fluoro-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for cis-(1S,2S)-2-fluoro-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for cis-(1S,2S)-2-fluoro-3,3,5,5-tetramethylcyclohexan-1-amine is CC1(C)C[C@H](N)[C@@H](F)C(C)(C)C1.
What is the InChIKey of cis-(1S,2S)-2-fluoro-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is YEFNUZGEEYCIKY-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H20FN/c1-9(2)5-7(12)8(11)10(3,4)6-9/h7-8H,5-6,12H2,1-4H3/t7-,8+/m0/s1.
What are the key properties of cis-(1S,2S)-2-fluoro-3,3,5,5-tetramethylcyclohexan-1-amine?
cis-(1S,2S)-2-fluoro-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 173.27 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-fluoro-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 125452257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).