1-(3,3-difluorocyclohexyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine

C14H25F2NS — CID 114223974

IUPAC1-(3,3-difluorocyclohexyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
SMILESCSC1(CNCC2CCCC(F)(F)C2)CCCC1
InChIInChI=1S/C14H25F2NS/c1-18-13(6-2-3-7-13)11-17-10-12-5-4-8-14(15,16)9-12/h12,17H,2-11H2,1H3
InChIKeyIDMDJNKZRDGQIZ-UHFFFAOYSA-N
MW277.42 g/mol
LogP4.08
Rot. Bonds5

About 1-(3,3-difluorocyclohexyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine

1-(3,3-difluorocyclohexyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine (PubChem CID 114223974) has the molecular formula C14H25F2NS and a molecular weight of 277.42 g/mol. Its IUPAC name is 1-(3,3-difluorocyclohexyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,3-difluorocyclohexyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
PubChem CID114223974
Molecular FormulaC14H25F2NS
Molecular Weight277.42 g/mol
Exact Mass277.17
IUPAC Name1-(3,3-difluorocyclohexyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
SMILESCSC1(CNCC2CCCC(F)(F)C2)CCCC1
InChIInChI=1S/C14H25F2NS/c1-18-13(6-2-3-7-13)11-17-10-12-5-4-8-14(15,16)9-12/h12,17H,2-11H2,1H3
InChIKeyIDMDJNKZRDGQIZ-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 54.08
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)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine?
The IUPAC name of 1-(3,3-difluorocyclohexyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine (CID 114223974) is 1-(3,3-difluorocyclohexyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine.
What is the SMILES notation for 1-(3,3-difluorocyclohexyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine?
The canonical SMILES for 1-(3,3-difluorocyclohexyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine is CSC1(CNCC2CCCC(F)(F)C2)CCCC1.
What is the InChIKey of 1-(3,3-difluorocyclohexyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine?
The InChIKey is IDMDJNKZRDGQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NS/c1-18-13(6-2-3-7-13)11-17-10-12-5-4-8-14(15,16)9-12/h12,17H,2-11H2,1H3.
What are the key properties of 1-(3,3-difluorocyclohexyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine?
1-(3,3-difluorocyclohexyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine has a molecular weight of 277.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclohexyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine is sourced from PubChem (CID 114223974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).