1-(3,3-difluorocyclopentyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine

C14H25F2NO — CID 114225757

IUPAC1-(3,3-difluorocyclopentyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
SMILESCNC(CCC1CCCO1)CC1CCC(F)(F)C1
InChIInChI=1S/C14H25F2NO/c1-17-12(4-5-13-3-2-8-18-13)9-11-6-7-14(15,16)10-11/h11-13,17H,2-10H2,1H3
InChIKeyYVLNFPLYCVSKGM-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.36
Rot. Bonds6

About 1-(3,3-difluorocyclopentyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine

1-(3,3-difluorocyclopentyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine (PubChem CID 114225757) has the molecular formula C14H25F2NO and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
PubChem CID114225757
Molecular FormulaC14H25F2NO
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name1-(3,3-difluorocyclopentyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
SMILESCNC(CCC1CCCO1)CC1CCC(F)(F)C1
InChIInChI=1S/C14H25F2NO/c1-17-12(4-5-13-3-2-8-18-13)9-11-6-7-14(15,16)10-11/h11-13,17H,2-10H2,1H3
InChIKeyYVLNFPLYCVSKGM-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-Methyl-2-tetra-hydrofurfuryl)-2-aminocyclopentane
CID 13025932
N-Methyl-2-[(oxolan-2-yl)methyl]cyclohexan-1-amine
CID 13025937
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 54962221
1-cyclopentyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 55094981
N,7-dimethyl-1-(2,2,2-trifluoroethoxy)octan-4-amine
CID 55095372
N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 61490288
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 61490289
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 61748692
N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 61749685
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 61749886
N-propyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 64496132
N-ethyl-2-methyl-8-(2,2,2-trifluoroethoxy)octan-3-amine
CID 64496915

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine (CID 114225757) is 1-(3,3-difluorocyclopentyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine is CNC(CCC1CCCO1)CC1CCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine?
The InChIKey is YVLNFPLYCVSKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO/c1-17-12(4-5-13-3-2-8-18-13)9-11-6-7-14(15,16)10-11/h11-13,17H,2-10H2,1H3.
What are the key properties of 1-(3,3-difluorocyclopentyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine?
1-(3,3-difluorocyclopentyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine has a molecular weight of 261.36 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclopentyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 114225757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).