3-[(3,3-difluorocyclopentyl)methyl]-3-methyl-N-propylcyclopentan-1-amine

C15H27F2N — CID 114225313

IUPAC3-[(3,3-difluorocyclopentyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(C)(CC2CCC(F)(F)C2)C1
InChIInChI=1S/C15H27F2N/c1-3-8-18-13-5-6-14(2,11-13)9-12-4-7-15(16,17)10-12/h12-13,18H,3-11H2,1-2H3
InChIKeySGBOWMAJGWVRID-UHFFFAOYSA-N
MW259.38 g/mol
LogP4.37
Rot. Bonds5

About 3-[(3,3-difluorocyclopentyl)methyl]-3-methyl-N-propylcyclopentan-1-amine

3-[(3,3-difluorocyclopentyl)methyl]-3-methyl-N-propylcyclopentan-1-amine (PubChem CID 114225313) has the molecular formula C15H27F2N and a molecular weight of 259.38 g/mol. Its IUPAC name is 3-[(3,3-difluorocyclopentyl)methyl]-3-methyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(3,3-difluorocyclopentyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
PubChem CID114225313
Molecular FormulaC15H27F2N
Molecular Weight259.38 g/mol
Exact Mass259.21
IUPAC Name3-[(3,3-difluorocyclopentyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(C)(CC2CCC(F)(F)C2)C1
InChIInChI=1S/C15H27F2N/c1-3-8-18-13-5-6-14(2,11-13)9-12-4-7-15(16,17)10-12/h12-13,18H,3-11H2,1-2H3
InChIKeySGBOWMAJGWVRID-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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-difluorocyclopentyl)methyl]-3-methyl-N-propylcyclopentan-1-amine?
The IUPAC name of 3-[(3,3-difluorocyclopentyl)methyl]-3-methyl-N-propylcyclopentan-1-amine (CID 114225313) is 3-[(3,3-difluorocyclopentyl)methyl]-3-methyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-[(3,3-difluorocyclopentyl)methyl]-3-methyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-[(3,3-difluorocyclopentyl)methyl]-3-methyl-N-propylcyclopentan-1-amine is CCCNC1CCC(C)(CC2CCC(F)(F)C2)C1.
What is the InChIKey of 3-[(3,3-difluorocyclopentyl)methyl]-3-methyl-N-propylcyclopentan-1-amine?
The InChIKey is SGBOWMAJGWVRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2N/c1-3-8-18-13-5-6-14(2,11-13)9-12-4-7-15(16,17)10-12/h12-13,18H,3-11H2,1-2H3.
What are the key properties of 3-[(3,3-difluorocyclopentyl)methyl]-3-methyl-N-propylcyclopentan-1-amine?
3-[(3,3-difluorocyclopentyl)methyl]-3-methyl-N-propylcyclopentan-1-amine has a molecular weight of 259.38 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluorocyclopentyl)methyl]-3-methyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 114225313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).