2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine

C14H25F2N — CID 114225779

IUPAC2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
SMILESCNC(CC1CCC(F)(F)C1)C1(C)CCCC1
InChIInChI=1S/C14H25F2N/c1-13(6-3-4-7-13)12(17-2)9-11-5-8-14(15,16)10-11/h11-12,17H,3-10H2,1-2H3
InChIKeyIHXFRFVVSVVQLN-UHFFFAOYSA-N
MW245.36 g/mol
LogP3.98
Rot. Bonds4

About 2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine

2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine (PubChem CID 114225779) has the molecular formula C14H25F2N and a molecular weight of 245.36 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
PubChem CID114225779
Molecular FormulaC14H25F2N
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
SMILESCNC(CC1CCC(F)(F)C1)C1(C)CCCC1
InChIInChI=1S/C14H25F2N/c1-13(6-3-4-7-13)12(17-2)9-11-5-8-14(15,16)10-11/h11-12,17H,3-10H2,1-2H3
InChIKeyIHXFRFVVSVVQLN-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-N-methyl-1-(1-methylcyclopentyl)ethanamine
CID 104986588
1-(3,3-difluorocyclopentyl)propan-2-ol
CID 130487406
2-(3,3-difluorocyclopentyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 114224832
3-(2-chloro-3-methylbutyl)-1,1-difluorocyclopentane
CID 130487711
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
1-cyclohexyl-3-(3,3-difluorocyclopentyl)propan-2-ol
CID 114224509
3-amino-1-(3,3-difluorocyclopentyl)butan-2-ol
CID 164658398
2-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 114224917
2-cyclopentyl-1-(1-methoxycyclopentyl)-N-methylethanamine
CID 104610813
1-(3,3-difluorocyclopentyl)-3,3-difluorobutan-2-ol
CID 127003791
2-cyclobutyl-N-ethyl-1-(1-methylcyclohexyl)ethanamine
CID 106830143
2-(3,3-difluorocyclopentyl)-1-(2-ethyloxolan-3-yl)-N-methylethanamine
CID 114225798

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine (CID 114225779) is 2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine is CNC(CC1CCC(F)(F)C1)C1(C)CCCC1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine?
The InChIKey is IHXFRFVVSVVQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2N/c1-13(6-3-4-7-13)12(17-2)9-11-5-8-14(15,16)10-11/h11-12,17H,3-10H2,1-2H3.
What are the key properties of 2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine?
2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine has a molecular weight of 245.36 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine is sourced from PubChem (CID 114225779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).