1-cyclopentyl-5-(2,2-difluoroethoxy)-N-ethylpentan-3-amine

C14H27F2NO — CID 114192296

IUPAC1-cyclopentyl-5-(2,2-difluoroethoxy)-N-ethylpentan-3-amine
SMILESCCNC(CCOCC(F)F)CCC1CCCC1
InChIInChI=1S/C14H27F2NO/c1-2-17-13(9-10-18-11-14(15)16)8-7-12-5-3-4-6-12/h12-14,17H,2-11H2,1H3
InChIKeyNMIDMDJTCZQXDB-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.61
Rot. Bonds10

About 1-cyclopentyl-5-(2,2-difluoroethoxy)-N-ethylpentan-3-amine

1-cyclopentyl-5-(2,2-difluoroethoxy)-N-ethylpentan-3-amine (PubChem CID 114192296) has the molecular formula C14H27F2NO and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-cyclopentyl-5-(2,2-difluoroethoxy)-N-ethylpentan-3-amine.

Molecular Properties

Compound Name1-cyclopentyl-5-(2,2-difluoroethoxy)-N-ethylpentan-3-amine
PubChem CID114192296
Molecular FormulaC14H27F2NO
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC Name1-cyclopentyl-5-(2,2-difluoroethoxy)-N-ethylpentan-3-amine
SMILESCCNC(CCOCC(F)F)CCC1CCCC1
InChIInChI=1S/C14H27F2NO/c1-2-17-13(9-10-18-11-14(15)16)8-7-12-5-3-4-6-12/h12-14,17H,2-11H2,1H3
InChIKeyNMIDMDJTCZQXDB-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-N,5-diethylheptan-3-amine
CID 105028198
1-(2,2-difluoroethoxy)-N-ethylhept-5-yn-3-amine
CID 103149544
1-cyclopentyl-N-ethyloct-7-en-3-amine
CID 104986890
4-cyclopropyl-N-ethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 105157672
1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine
CID 103149889
4-cyclopentyl-1-methoxy-N-methylbutan-2-amine
CID 62320367
4-(2,2-difluoroethoxy)-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine
CID 103149509
4-cyclohexyl-1-ethoxy-N-propylbutan-2-amine
CID 105008032
1-(2,2-difluoroethoxy)-N-ethylpentan-2-amine
CID 82005063
4-cyclohexyl-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine
CID 105412616
1-cyclohexyl-N-propylhexan-3-amine
CID 63400154
1-(2,2-difluoroethoxy)-N-ethyl-4-methylhexan-3-amine
CID 103149557

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-(2,2-difluoroethoxy)-N-ethylpentan-3-amine?
The IUPAC name of 1-cyclopentyl-5-(2,2-difluoroethoxy)-N-ethylpentan-3-amine (CID 114192296) is 1-cyclopentyl-5-(2,2-difluoroethoxy)-N-ethylpentan-3-amine.
What is the SMILES notation for 1-cyclopentyl-5-(2,2-difluoroethoxy)-N-ethylpentan-3-amine?
The canonical SMILES for 1-cyclopentyl-5-(2,2-difluoroethoxy)-N-ethylpentan-3-amine is CCNC(CCOCC(F)F)CCC1CCCC1.
What is the InChIKey of 1-cyclopentyl-5-(2,2-difluoroethoxy)-N-ethylpentan-3-amine?
The InChIKey is NMIDMDJTCZQXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2NO/c1-2-17-13(9-10-18-11-14(15)16)8-7-12-5-3-4-6-12/h12-14,17H,2-11H2,1H3.
What are the key properties of 1-cyclopentyl-5-(2,2-difluoroethoxy)-N-ethylpentan-3-amine?
1-cyclopentyl-5-(2,2-difluoroethoxy)-N-ethylpentan-3-amine has a molecular weight of 263.37 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-(2,2-difluoroethoxy)-N-ethylpentan-3-amine is sourced from PubChem (CID 114192296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).