N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]heptan-1-amine

C16H30F3N — CID 105126402

IUPACN-ethyl-1-[3-(trifluoromethyl)cyclohexyl]heptan-1-amine
SMILESCCCCCCC(NCC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H30F3N/c1-3-5-6-7-11-15(20-4-2)13-9-8-10-14(12-13)16(17,18)19/h13-15,20H,3-12H2,1-2H3
InChIKeyQRLWKEDSZILRGQ-UHFFFAOYSA-N
MW293.42 g/mol
LogP5.30
Rot. Bonds8

About N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]heptan-1-amine

N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]heptan-1-amine (PubChem CID 105126402) has the molecular formula C16H30F3N and a molecular weight of 293.42 g/mol. Its IUPAC name is N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]heptan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[3-(trifluoromethyl)cyclohexyl]heptan-1-amine
PubChem CID105126402
Molecular FormulaC16H30F3N
Molecular Weight293.42 g/mol
Exact Mass293.23
IUPAC NameN-ethyl-1-[3-(trifluoromethyl)cyclohexyl]heptan-1-amine
SMILESCCCCCCC(NCC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H30F3N/c1-3-5-6-7-11-15(20-4-2)13-9-8-10-14(12-13)16(17,18)19/h13-15,20H,3-12H2,1-2H3
InChIKeyQRLWKEDSZILRGQ-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.42
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclobutyl-N-ethylundecan-1-amine
CID 64986983
N-ethyl-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105138060
N-ethyl-1-(3-ethylcyclohexyl)decan-1-amine
CID 65415153
1-cyclohexyl-N-ethyloctan-1-amine
CID 63413572
1-cyclooctyl-N-ethylheptan-1-amine
CID 80603132
1-cyclohexyl-N-ethyldodecan-1-amine
CID 114981553
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine
CID 105153083
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine
CID 105179553
N-ethyl-1-(3-methylsulfonylcyclohexyl)octan-1-amine
CID 105014365
N,5-dimethyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105177137
1-(4-tert-butylcyclohexyl)-N-ethylheptan-1-amine
CID 65414527
N-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105151620

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]heptan-1-amine?
The IUPAC name of N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]heptan-1-amine (CID 105126402) is N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]heptan-1-amine.
What is the SMILES notation for N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]heptan-1-amine?
The canonical SMILES for N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]heptan-1-amine is CCCCCCC(NCC)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]heptan-1-amine?
The InChIKey is QRLWKEDSZILRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F3N/c1-3-5-6-7-11-15(20-4-2)13-9-8-10-14(12-13)16(17,18)19/h13-15,20H,3-12H2,1-2H3.
What are the key properties of N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]heptan-1-amine?
N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]heptan-1-amine has a molecular weight of 293.42 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]heptan-1-amine is sourced from PubChem (CID 105126402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).