1-(3,3-difluorocyclopentyl)-N-ethyl-5,5-dimethylhexan-2-amine

C15H29F2N — CID 114224973

IUPAC1-(3,3-difluorocyclopentyl)-N-ethyl-5,5-dimethylhexan-2-amine
SMILESCCNC(CCC(C)(C)C)CC1CCC(F)(F)C1
InChIInChI=1S/C15H29F2N/c1-5-18-13(7-8-14(2,3)4)10-12-6-9-15(16,17)11-12/h12-13,18H,5-11H2,1-4H3
InChIKeyNFRUBQAYDIWXNO-UHFFFAOYSA-N
MW261.40 g/mol
LogP4.62
Rot. Bonds6

About 1-(3,3-difluorocyclopentyl)-N-ethyl-5,5-dimethylhexan-2-amine

1-(3,3-difluorocyclopentyl)-N-ethyl-5,5-dimethylhexan-2-amine (PubChem CID 114224973) has the molecular formula C15H29F2N and a molecular weight of 261.40 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-N-ethyl-5,5-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-N-ethyl-5,5-dimethylhexan-2-amine
PubChem CID114224973
Molecular FormulaC15H29F2N
Molecular Weight261.40 g/mol
Exact Mass261.23
IUPAC Name1-(3,3-difluorocyclopentyl)-N-ethyl-5,5-dimethylhexan-2-amine
SMILESCCNC(CCC(C)(C)C)CC1CCC(F)(F)C1
InChIInChI=1S/C15H29F2N/c1-5-18-13(7-8-14(2,3)4)10-12-6-9-15(16,17)11-12/h12-13,18H,5-11H2,1-4H3
InChIKeyNFRUBQAYDIWXNO-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.40
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,3-difluorocyclopentyl)-N-ethyl-5-methoxypentan-2-amine
CID 114224838
1-(3,3-difluorocyclohexyl)-N-ethyl-3-propoxypropan-2-amine
CID 114224804
N-ethyl-1,1,1-trifluoro-7,7-dimethyloctan-4-amine
CID 79954629
1-(3,3-difluorocyclopentyl)-3-methylsulfonyl-N-propylpropan-2-amine
CID 114225773
1-(3,3-difluorocyclopentyl)-3,3-difluorobutan-2-ol
CID 127003791
N-ethyl-5,5,5-trifluoro-1-(thian-4-yl)pentan-2-amine
CID 105156512
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 115850124
N-ethyl-2,7,7-trimethyloctan-4-amine
CID 62601319
1-(3,3-difluorocyclopentyl)propan-2-ol
CID 130487406
2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine
CID 114225771
3-(2-chloro-3-methylbutyl)-1,1-difluorocyclopentane
CID 130487711
1-cyclopropyl-N-ethyl-5-methylhexan-2-amine
CID 64906798

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-N-ethyl-5,5-dimethylhexan-2-amine?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-N-ethyl-5,5-dimethylhexan-2-amine (CID 114224973) is 1-(3,3-difluorocyclopentyl)-N-ethyl-5,5-dimethylhexan-2-amine.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-N-ethyl-5,5-dimethylhexan-2-amine?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-N-ethyl-5,5-dimethylhexan-2-amine is CCNC(CCC(C)(C)C)CC1CCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-N-ethyl-5,5-dimethylhexan-2-amine?
The InChIKey is NFRUBQAYDIWXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F2N/c1-5-18-13(7-8-14(2,3)4)10-12-6-9-15(16,17)11-12/h12-13,18H,5-11H2,1-4H3.
What are the key properties of 1-(3,3-difluorocyclopentyl)-N-ethyl-5,5-dimethylhexan-2-amine?
1-(3,3-difluorocyclopentyl)-N-ethyl-5,5-dimethylhexan-2-amine has a molecular weight of 261.40 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclopentyl)-N-ethyl-5,5-dimethylhexan-2-amine is sourced from PubChem (CID 114224973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).