2,2-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine

C14H25F4NO — CID 79836595

IUPAC2,2-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine
SMILESCCCNC1C(OCC(F)(F)C(F)F)CCCC1(C)C
InChIInChI=1S/C14H25F4NO/c1-4-8-19-11-10(6-5-7-13(11,2)3)20-9-14(17,18)12(15)16/h10-12,19H,4-9H2,1-3H3
InChIKeyJAGANXZUSHCANQ-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.85
Rot. Bonds7

About 2,2-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine

2,2-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine (PubChem CID 79836595) has the molecular formula C14H25F4NO and a molecular weight of 299.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine
PubChem CID79836595
Molecular FormulaC14H25F4NO
Molecular Weight299.35 g/mol
Exact Mass299.19
IUPAC Name2,2-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine
SMILESCCCNC1C(OCC(F)(F)C(F)F)CCCC1(C)C
InChIInChI=1S/C14H25F4NO/c1-4-8-19-11-10(6-5-7-13(11,2)3)20-9-14(17,18)12(15)16/h10-12,19H,4-9H2,1-3H3
InChIKeyJAGANXZUSHCANQ-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-propyl-5-(2,2,2-trifluoroethoxy)cyclopentan-1-amine
CID 79859877
2,2-dimethyl-N-propyl-5-(4,4,4-trifluorobutoxy)cyclopentan-1-amine
CID 82789739
3,3-dimethyl-1-N-propan-2-yl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
CID 79836033
5-cyclobutyloxy-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79856523
2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]-N-propylcyclopentan-1-amine
CID 79857297
6-(3-fluoro-4-methylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 107168928
N-ethyl-6-heptoxy-2,2-dimethylcyclohexan-1-amine
CID 79835866
2,2-dimethyl-6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 79853529
2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclopentan-1-amine
CID 103529444
6-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79836581
6-cyclopentylsulfanyl-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79847103
2,2-dimethyl-5-(oxan-4-ylmethoxy)-N-propylcyclopentan-1-amine
CID 79857761

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine (CID 79836595) is 2,2-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine is CCCNC1C(OCC(F)(F)C(F)F)CCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine?
The InChIKey is JAGANXZUSHCANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F4NO/c1-4-8-19-11-10(6-5-7-13(11,2)3)20-9-14(17,18)12(15)16/h10-12,19H,4-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine?
2,2-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine has a molecular weight of 299.35 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine is sourced from PubChem (CID 79836595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).