N-propyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine

C13H24F3N — CID 105078920

IUPACN-propyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
SMILESCCCNC(CC)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H24F3N/c1-3-9-17-12(4-2)10-7-5-6-8-11(10)13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyTWGZZYJNRLZRBE-UHFFFAOYSA-N
MW251.34 g/mol
LogP4.13
Rot. Bonds5

About N-propyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine

N-propyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine (PubChem CID 105078920) has the molecular formula C13H24F3N and a molecular weight of 251.34 g/mol. Its IUPAC name is N-propyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine.

Molecular Properties

Compound NameN-propyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
PubChem CID105078920
Molecular FormulaC13H24F3N
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC NameN-propyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
SMILESCCCNC(CC)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H24F3N/c1-3-9-17-12(4-2)10-7-5-6-8-11(10)13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyTWGZZYJNRLZRBE-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-propyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 105125593
3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105138024
N-[cyclopentyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105081119
N-[phenyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105084116
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
N-[pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105098515
2-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105139095
N-ethyl-2-propan-2-yloxy-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105168105
N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine
CID 105153388
N-[2-cyclopentyl-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105139109
1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine
CID 65424395
N-ethyl-2-phenyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 104622288

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine?
The IUPAC name of N-propyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine (CID 105078920) is N-propyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine.
What is the SMILES notation for N-propyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine?
The canonical SMILES for N-propyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine is CCCNC(CC)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-propyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine?
The InChIKey is TWGZZYJNRLZRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N/c1-3-9-17-12(4-2)10-7-5-6-8-11(10)13(14,15)16/h10-12,17H,3-9H2,1-2H3.
What are the key properties of N-propyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine?
N-propyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine is sourced from PubChem (CID 105078920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).