trans-(1S,2S)-2-fluoro-N-propan-2-ylcyclohexan-1-amine

C9H18FN — CID 165095676

IUPACtrans-(1S,2S)-2-fluoro-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)N[C@H]1CCCC[C@@H]1F
InChIInChI=1S/C9H18FN/c1-7(2)11-9-6-4-3-5-8(9)10/h7-9,11H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyMGYPKXVQXXZFNP-IUCAKERBSA-N
MW159.25 g/mol
LogP2.27
Rot. Bonds2

About trans-(1S,2S)-2-fluoro-N-propan-2-ylcyclohexan-1-amine

trans-(1S,2S)-2-fluoro-N-propan-2-ylcyclohexan-1-amine (PubChem CID 165095676) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is trans-(1S,2S)-2-fluoro-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-fluoro-N-propan-2-ylcyclohexan-1-amine
PubChem CID165095676
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Nametrans-(1S,2S)-2-fluoro-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)N[C@H]1CCCC[C@@H]1F
InChIInChI=1S/C9H18FN/c1-7(2)11-9-6-4-3-5-8(9)10/h7-9,11H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyMGYPKXVQXXZFNP-IUCAKERBSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2R)-2-fluoro-N-propan-2-ylcyclopentan-1-amine
CID 126847843
trans-(1R,2R)-N-butan-2-yl-2-fluorocyclohexan-1-amine
CID 126847801
cis-(1R,2S)-2-fluoro-N-methylcyclohexan-1-amine;hydrochloride
CID 164886232
(3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine
CID 164821452
3-fluoro-N-propan-2-ylpiperidin-4-amine
CID 59304222
1,3-difluoro-N-propan-2-ylpiperidin-4-amine
CID 174849475
(3S,4R)-3-fluoro-1-methyl-N-propan-2-ylpiperidin-4-amine
CID 171638746
1-fluoro-2-[2-[(2-fluorocyclohexyl)amino]hydrazinyl]cyclohexane
CID 5246659
(2R)-2-(propan-2-ylamino)cycloheptan-1-ol
CID 166814951
N,2-di(propan-2-yl)cycloheptan-1-amine
CID 164647627
cis-(1R,2S)-2-methoxy-N-propan-2-ylcyclopentan-1-amine
CID 94347863
2-methoxy-N-propan-2-ylcyclopentan-1-amine
CID 62088372

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-fluoro-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of trans-(1S,2S)-2-fluoro-N-propan-2-ylcyclohexan-1-amine (CID 165095676) is trans-(1S,2S)-2-fluoro-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-fluoro-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-fluoro-N-propan-2-ylcyclohexan-1-amine is CC(C)N[C@H]1CCCC[C@@H]1F.
What is the InChIKey of trans-(1S,2S)-2-fluoro-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is MGYPKXVQXXZFNP-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18FN/c1-7(2)11-9-6-4-3-5-8(9)10/h7-9,11H,3-6H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-fluoro-N-propan-2-ylcyclohexan-1-amine?
trans-(1S,2S)-2-fluoro-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 159.25 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-fluoro-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 165095676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).