1-(3,3-difluorocyclohexyl)-3-methoxy-N-methylpentan-2-amine

C13H25F2NO — CID 114224936

IUPAC1-(3,3-difluorocyclohexyl)-3-methoxy-N-methylpentan-2-amine
SMILESCCC(OC)C(CC1CCCC(F)(F)C1)NC
InChIInChI=1S/C13H25F2NO/c1-4-12(17-3)11(16-2)8-10-6-5-7-13(14,15)9-10/h10-12,16H,4-9H2,1-3H3
InChIKeyGVINQRSBUBHSCK-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.21
Rot. Bonds6

About 1-(3,3-difluorocyclohexyl)-3-methoxy-N-methylpentan-2-amine

1-(3,3-difluorocyclohexyl)-3-methoxy-N-methylpentan-2-amine (PubChem CID 114224936) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-(3,3-difluorocyclohexyl)-3-methoxy-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(3,3-difluorocyclohexyl)-3-methoxy-N-methylpentan-2-amine
PubChem CID114224936
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Name1-(3,3-difluorocyclohexyl)-3-methoxy-N-methylpentan-2-amine
SMILESCCC(OC)C(CC1CCCC(F)(F)C1)NC
InChIInChI=1S/C13H25F2NO/c1-4-12(17-3)11(16-2)8-10-6-5-7-13(14,15)9-10/h10-12,16H,4-9H2,1-3H3
InChIKeyGVINQRSBUBHSCK-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclohexyl)-3-methoxy-N-methylpentan-2-amine?
The IUPAC name of 1-(3,3-difluorocyclohexyl)-3-methoxy-N-methylpentan-2-amine (CID 114224936) is 1-(3,3-difluorocyclohexyl)-3-methoxy-N-methylpentan-2-amine.
What is the SMILES notation for 1-(3,3-difluorocyclohexyl)-3-methoxy-N-methylpentan-2-amine?
The canonical SMILES for 1-(3,3-difluorocyclohexyl)-3-methoxy-N-methylpentan-2-amine is CCC(OC)C(CC1CCCC(F)(F)C1)NC.
What is the InChIKey of 1-(3,3-difluorocyclohexyl)-3-methoxy-N-methylpentan-2-amine?
The InChIKey is GVINQRSBUBHSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO/c1-4-12(17-3)11(16-2)8-10-6-5-7-13(14,15)9-10/h10-12,16H,4-9H2,1-3H3.
What are the key properties of 1-(3,3-difluorocyclohexyl)-3-methoxy-N-methylpentan-2-amine?
1-(3,3-difluorocyclohexyl)-3-methoxy-N-methylpentan-2-amine has a molecular weight of 249.34 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclohexyl)-3-methoxy-N-methylpentan-2-amine is sourced from PubChem (CID 114224936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).