N-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine

C16H28F3N — CID 105151620

IUPACN-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
SMILESCCCNC(CC1CCC1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H28F3N/c1-2-9-20-15(10-12-5-3-6-12)13-7-4-8-14(11-13)16(17,18)19/h12-15,20H,2-11H2,1H3
InChIKeyXIIQRNBYAAINQL-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.91
Rot. Bonds6

About N-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine

N-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine (PubChem CID 105151620) has the molecular formula C16H28F3N and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
PubChem CID105151620
Molecular FormulaC16H28F3N
Molecular Weight291.40 g/mol
Exact Mass291.22
IUPAC NameN-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
SMILESCCCNC(CC1CCC1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H28F3N/c1-2-9-20-15(10-12-5-3-6-12)13-7-4-8-14(11-13)16(17,18)19/h12-15,20H,2-11H2,1H3
InChIKeyXIIQRNBYAAINQL-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-cyclopentyl-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105139109
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-yn-1-amine
CID 105077363
3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105137916
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine
CID 105153083
3-methylidene-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 105163942
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine
CID 105179553
N-[1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethyl]propan-1-amine
CID 115863402
N-[oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105147551
N-(1-cyclohexyl-2-cyclopropylethyl)propan-1-amine
CID 64906584
N-ethyl-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105138060
N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]heptan-1-amine
CID 105126402
N-[1-cyclobutyl-2-(thian-4-yl)ethyl]propan-1-amine
CID 105187409

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine (CID 105151620) is N-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine is CCCNC(CC1CCC1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine?
The InChIKey is XIIQRNBYAAINQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3N/c1-2-9-20-15(10-12-5-3-6-12)13-7-4-8-14(11-13)16(17,18)19/h12-15,20H,2-11H2,1H3.
What are the key properties of N-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine?
N-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine has a molecular weight of 291.40 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine is sourced from PubChem (CID 105151620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).