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

C14H27F2NO — CID 114224949

IUPAC1-(3,3-difluorocyclohexyl)-3-methoxy-N,3-dimethylpentan-2-amine
SMILESCCC(C)(OC)C(CC1CCCC(F)(F)C1)NC
InChIInChI=1S/C14H27F2NO/c1-5-13(2,18-4)12(17-3)9-11-7-6-8-14(15,16)10-11/h11-12,17H,5-10H2,1-4H3
InChIKeyLLJDIISRJPMVIJ-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.61
Rot. Bonds6

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

1-(3,3-difluorocyclohexyl)-3-methoxy-N,3-dimethylpentan-2-amine (PubChem CID 114224949) has the molecular formula C14H27F2NO and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-(3,3-difluorocyclohexyl)-3-methoxy-N,3-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(3,3-difluorocyclohexyl)-3-methoxy-N,3-dimethylpentan-2-amine
PubChem CID114224949
Molecular FormulaC14H27F2NO
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC Name1-(3,3-difluorocyclohexyl)-3-methoxy-N,3-dimethylpentan-2-amine
SMILESCCC(C)(OC)C(CC1CCCC(F)(F)C1)NC
InChIInChI=1S/C14H27F2NO/c1-5-13(2,18-4)12(17-3)9-11-7-6-8-14(15,16)10-11/h11-12,17H,5-10H2,1-4H3
InChIKeyLLJDIISRJPMVIJ-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,3-difluorocyclohexyl)-3-methoxy-N,3-dimethylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclohexyl)-3-methoxy-N,3-dimethylpentan-2-amine?
The IUPAC name of 1-(3,3-difluorocyclohexyl)-3-methoxy-N,3-dimethylpentan-2-amine (CID 114224949) is 1-(3,3-difluorocyclohexyl)-3-methoxy-N,3-dimethylpentan-2-amine.
What is the SMILES notation for 1-(3,3-difluorocyclohexyl)-3-methoxy-N,3-dimethylpentan-2-amine?
The canonical SMILES for 1-(3,3-difluorocyclohexyl)-3-methoxy-N,3-dimethylpentan-2-amine is CCC(C)(OC)C(CC1CCCC(F)(F)C1)NC.
What is the InChIKey of 1-(3,3-difluorocyclohexyl)-3-methoxy-N,3-dimethylpentan-2-amine?
The InChIKey is LLJDIISRJPMVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2NO/c1-5-13(2,18-4)12(17-3)9-11-7-6-8-14(15,16)10-11/h11-12,17H,5-10H2,1-4H3.
What are the key properties of 1-(3,3-difluorocyclohexyl)-3-methoxy-N,3-dimethylpentan-2-amine?
1-(3,3-difluorocyclohexyl)-3-methoxy-N,3-dimethylpentan-2-amine has a molecular weight of 263.37 g/mol, XLogP of 3.61, 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,3-dimethylpentan-2-amine is sourced from PubChem (CID 114224949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).