N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine

C16H26F3N — CID 105179553

IUPACN-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine
SMILESC#CCCCC(NCCC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H26F3N/c1-3-5-6-10-15(20-11-4-2)13-8-7-9-14(12-13)16(17,18)19/h1,13-15,20H,4-12H2,2H3
InChIKeyOUVBNZKOMQSOGF-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.53
Rot. Bonds7

About N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine

N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine (PubChem CID 105179553) has the molecular formula C16H26F3N and a molecular weight of 289.38 g/mol. Its IUPAC name is N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine.

Molecular Properties

Compound NameN-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine
PubChem CID105179553
Molecular FormulaC16H26F3N
Molecular Weight289.38 g/mol
Exact Mass289.20
IUPAC NameN-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine
SMILESC#CCCCC(NCCC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H26F3N/c1-3-5-6-10-15(20-11-4-2)13-8-7-9-14(12-13)16(17,18)19/h1,13-15,20H,4-12H2,2H3
InChIKeyOUVBNZKOMQSOGF-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-yn-1-amine
CID 105077363
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine
CID 105153083
N-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105151620
3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105137916
N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]heptan-1-amine
CID 105126402
3-methylidene-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 105163942
N-ethyl-1-(3-ethylcyclohexyl)hex-5-yn-1-amine
CID 113374324
N,5-dimethyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105177137
N-ethyl-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105138060
1-(2-adamantyl)-N-propylhex-5-yn-1-amine
CID 105033843
1-cyclobutyl-N-propyldodecan-1-amine
CID 105049365
1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylhex-5-yn-1-amine
CID 113374314

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine?
The IUPAC name of N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine (CID 105179553) is N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine.
What is the SMILES notation for N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine?
The canonical SMILES for N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine is C#CCCCC(NCCC)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine?
The InChIKey is OUVBNZKOMQSOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3N/c1-3-5-6-10-15(20-11-4-2)13-8-7-9-14(12-13)16(17,18)19/h1,13-15,20H,4-12H2,2H3.
What are the key properties of N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine?
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine has a molecular weight of 289.38 g/mol, XLogP of 4.53, 7 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]hex-5-yn-1-amine is sourced from PubChem (CID 105179553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).