N-[3-(trifluoromethyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C17H28F3N — CID 43434428

IUPACN-[3-(trifluoromethyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESFC(F)(F)C1CCCC(NC2CCC3CCCCC3C2)C1
InChIInChI=1S/C17H28F3N/c18-17(19,20)14-6-3-7-15(11-14)21-16-9-8-12-4-1-2-5-13(12)10-16/h12-16,21H,1-11H2
InChIKeyYCZASIVKJINCFA-UHFFFAOYSA-N
MW303.41 g/mol
LogP5.06
Rot. Bonds2

About N-[3-(trifluoromethyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-[3-(trifluoromethyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 43434428) has the molecular formula C17H28F3N and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID43434428
Molecular FormulaC17H28F3N
Molecular Weight303.41 g/mol
Exact Mass303.22
IUPAC NameN-[3-(trifluoromethyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESFC(F)(F)C1CCCC(NC2CCC3CCCCC3C2)C1
InChIInChI=1S/C17H28F3N/c18-17(19,20)14-6-3-7-15(11-14)21-16-9-8-12-4-1-2-5-13(12)10-16/h12-16,21H,1-11H2
InChIKeyYCZASIVKJINCFA-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.41
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[3-(trifluoromethyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine with MolForge

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Related Compounds

trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 39870295
N,3-dicyclopropylcyclohexan-1-amine
CID 64594632
N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine
CID 83906410
3,4-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 64746000
N-[3-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
CID 79731027
2-cyclopropyl-N-[3-(trifluoromethyl)cyclohexyl]oxolan-3-amine
CID 102613100
3-cyclopropyl-N-(3-methylcyclopentyl)cyclohexan-1-amine
CID 115655106
N-(3-phenylcyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747481
[(1R,3S)-3-(trifluoromethyl)cyclohexyl]hydrazine
CID 124506889
1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine
CID 64757172
1-cyclopentyl-4-(trifluoromethyl)cyclohexane
CID 70984825
N,4-dicyclohexylcyclohexan-1-amine
CID 70368908

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 43434428) is N-[3-(trifluoromethyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-[3-(trifluoromethyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-[3-(trifluoromethyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is FC(F)(F)C1CCCC(NC2CCC3CCCCC3C2)C1.
What is the InChIKey of N-[3-(trifluoromethyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is YCZASIVKJINCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F3N/c18-17(19,20)14-6-3-7-15(11-14)21-16-9-8-12-4-1-2-5-13(12)10-16/h12-16,21H,1-11H2.
What are the key properties of N-[3-(trifluoromethyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-[3-(trifluoromethyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 303.41 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 43434428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).