N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-yn-1-amine

C14H22F3N — CID 105077363

IUPACN-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-yn-1-amine
SMILESC#CCC(NCCC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H22F3N/c1-3-6-13(18-9-4-2)11-7-5-8-12(10-11)14(15,16)17/h1,11-13,18H,4-10H2,2H3
InChIKeyMJYACCIERYAVBL-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.75
Rot. Bonds5

About N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-yn-1-amine

N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-yn-1-amine (PubChem CID 105077363) has the molecular formula C14H22F3N and a molecular weight of 261.33 g/mol. Its IUPAC name is N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-yn-1-amine.

Molecular Properties

Compound NameN-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-yn-1-amine
PubChem CID105077363
Molecular FormulaC14H22F3N
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC NameN-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-yn-1-amine
SMILESC#CCC(NCCC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H22F3N/c1-3-6-13(18-9-4-2)11-7-5-8-12(10-11)14(15,16)17/h1,11-13,18H,4-10H2,2H3
InChIKeyMJYACCIERYAVBL-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine
CID 105179553
N-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105151620
1-cyclopentyl-N-propylbut-3-yn-1-amine
CID 62235333
3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105137916
3-methylidene-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 105163942
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine
CID 105153083
N-[oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105147551
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-ethyl-1-(3-ethylcyclohexyl)but-3-yn-1-amine
CID 65412723
N-[2-cyclopentyl-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105139109
N-[3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105179256

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-yn-1-amine?
The IUPAC name of N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-yn-1-amine (CID 105077363) is N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-yn-1-amine.
What is the SMILES notation for N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-yn-1-amine?
The canonical SMILES for N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-yn-1-amine is C#CCC(NCCC)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-yn-1-amine?
The InChIKey is MJYACCIERYAVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N/c1-3-6-13(18-9-4-2)11-7-5-8-12(10-11)14(15,16)17/h1,11-13,18H,4-10H2,2H3.
What are the key properties of N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-yn-1-amine?
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-yn-1-amine has a molecular weight of 261.33 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-yn-1-amine is sourced from PubChem (CID 105077363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).