3-[(3,3-difluorocyclohexyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine

C15H27F2N — CID 114225312

IUPAC3-[(3,3-difluorocyclohexyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine
SMILESCCNC1CCC(C)(CC2CCCC(F)(F)C2)C1
InChIInChI=1S/C15H27F2N/c1-3-18-13-6-8-14(2,11-13)9-12-5-4-7-15(16,17)10-12/h12-13,18H,3-11H2,1-2H3
InChIKeyHXHGMFUCYNZWFV-UHFFFAOYSA-N
MW259.38 g/mol
LogP4.37
Rot. Bonds4

About 3-[(3,3-difluorocyclohexyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine

3-[(3,3-difluorocyclohexyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine (PubChem CID 114225312) has the molecular formula C15H27F2N and a molecular weight of 259.38 g/mol. Its IUPAC name is 3-[(3,3-difluorocyclohexyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(3,3-difluorocyclohexyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine
PubChem CID114225312
Molecular FormulaC15H27F2N
Molecular Weight259.38 g/mol
Exact Mass259.21
IUPAC Name3-[(3,3-difluorocyclohexyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine
SMILESCCNC1CCC(C)(CC2CCCC(F)(F)C2)C1
InChIInChI=1S/C15H27F2N/c1-3-18-13-6-8-14(2,11-13)9-12-5-4-7-15(16,17)10-12/h12-13,18H,3-11H2,1-2H3
InChIKeyHXHGMFUCYNZWFV-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-difluorocyclohexyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine?
The IUPAC name of 3-[(3,3-difluorocyclohexyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine (CID 114225312) is 3-[(3,3-difluorocyclohexyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine.
What is the SMILES notation for 3-[(3,3-difluorocyclohexyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine?
The canonical SMILES for 3-[(3,3-difluorocyclohexyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine is CCNC1CCC(C)(CC2CCCC(F)(F)C2)C1.
What is the InChIKey of 3-[(3,3-difluorocyclohexyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine?
The InChIKey is HXHGMFUCYNZWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2N/c1-3-18-13-6-8-14(2,11-13)9-12-5-4-7-15(16,17)10-12/h12-13,18H,3-11H2,1-2H3.
What are the key properties of 3-[(3,3-difluorocyclohexyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine?
3-[(3,3-difluorocyclohexyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine has a molecular weight of 259.38 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluorocyclohexyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine is sourced from PubChem (CID 114225312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).