1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine

C15H29F2NO — CID 103031849

IUPAC1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)C1CCC(F)(F)CC1
InChIInChI=1S/C15H29F2NO/c1-5-18-13(8-9-14(2,3)19-4)12-6-10-15(16,17)11-7-12/h12-13,18H,5-11H2,1-4H3
InChIKeyXPTGGDVMOAUYQQ-UHFFFAOYSA-N
MW277.40 g/mol
LogP4.00
Rot. Bonds7

About 1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine

1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (PubChem CID 103031849) has the molecular formula C15H29F2NO and a molecular weight of 277.40 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
PubChem CID103031849
Molecular FormulaC15H29F2NO
Molecular Weight277.40 g/mol
Exact Mass277.22
IUPAC Name1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)C1CCC(F)(F)CC1
InChIInChI=1S/C15H29F2NO/c1-5-18-13(8-9-14(2,3)19-4)12-6-10-15(16,17)11-7-12/h12-13,18H,5-11H2,1-4H3
InChIKeyXPTGGDVMOAUYQQ-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (CID 103031849) is 1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine is CCNC(CCC(C)(C)OC)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The InChIKey is XPTGGDVMOAUYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F2NO/c1-5-18-13(8-9-14(2,3)19-4)12-6-10-15(16,17)11-7-12/h12-13,18H,5-11H2,1-4H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine has a molecular weight of 277.40 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103031849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).