N-[cyclohexyl(difluoro)methyl]-N-ethylethanamine

C11H21F2N — CID 23085438

IUPACN-[cyclohexyl(difluoro)methyl]-N-ethylethanamine
SMILESCCN(CC)C(F)(F)C1CCCCC1
InChIInChI=1S/C11H21F2N/c1-3-14(4-2)11(12,13)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3
InChIKeyHMILPZZVOJKZLF-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.50
Rot. Bonds4

About N-[cyclohexyl(difluoro)methyl]-N-ethylethanamine

N-[cyclohexyl(difluoro)methyl]-N-ethylethanamine (PubChem CID 23085438) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is N-[cyclohexyl(difluoro)methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[cyclohexyl(difluoro)methyl]-N-ethylethanamine
PubChem CID23085438
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC NameN-[cyclohexyl(difluoro)methyl]-N-ethylethanamine
SMILESCCN(CC)C(F)(F)C1CCCCC1
InChIInChI=1S/C11H21F2N/c1-3-14(4-2)11(12,13)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3
InChIKeyHMILPZZVOJKZLF-UHFFFAOYSA-N
XLogP3.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N,N-Dimethylcyclohexanemethanamine
CID 123363
N-(Cyclohexylmethyl)-N-ethylethanamine
CID 11457913
Cyclohexylmethyl(trimethyl)azanium
CID 414110
N-(fluoromethyl)-4-methyl-N-propylcyclohexan-1-amine
CID 18538153
1-cyclohexyl-1-fluoro-N,N-dimethylmethanamine
CID 53909641
(3R)-1-(2,2-difluoroethyl)-3-ethylpiperidine
CID 57640116
Trimethyl-[5,6,6,6-tetrafluoro-3-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)hexyl]azanium
CID 57709778
4-Propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
CID 57956285
Cyclohexylmethyl(2,2,2-trifluoroethyl)azanide
CID 58040797
1-(2,2-Difluoroethyl)-4-propan-2-ylpiperidine
CID 58395062
N,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 58395110
4,4-Difluoro-1-(4-methylcyclohexyl)piperidine
CID 58395271

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(difluoro)methyl]-N-ethylethanamine?
The IUPAC name of N-[cyclohexyl(difluoro)methyl]-N-ethylethanamine (CID 23085438) is N-[cyclohexyl(difluoro)methyl]-N-ethylethanamine.
What is the SMILES notation for N-[cyclohexyl(difluoro)methyl]-N-ethylethanamine?
The canonical SMILES for N-[cyclohexyl(difluoro)methyl]-N-ethylethanamine is CCN(CC)C(F)(F)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl(difluoro)methyl]-N-ethylethanamine?
The InChIKey is HMILPZZVOJKZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N/c1-3-14(4-2)11(12,13)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3.
What are the key properties of N-[cyclohexyl(difluoro)methyl]-N-ethylethanamine?
N-[cyclohexyl(difluoro)methyl]-N-ethylethanamine has a molecular weight of 205.29 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(difluoro)methyl]-N-ethylethanamine is sourced from PubChem (CID 23085438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).