N'-cyclopentyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine

C13H25F3N2O — CID 61491073

IUPACN'-cyclopentyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
SMILESNCCCN(CCCOCC(F)(F)F)C1CCCC1
InChIInChI=1S/C13H25F3N2O/c14-13(15,16)11-19-10-4-9-18(8-3-7-17)12-5-1-2-6-12/h12H,1-11,17H2
InChIKeyLQFRUJURQINIPE-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.55
Rot. Bonds9

About N'-cyclopentyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine

N'-cyclopentyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine (PubChem CID 61491073) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is N'-cyclopentyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
PubChem CID61491073
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC NameN'-cyclopentyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
SMILESNCCCN(CCCOCC(F)(F)F)C1CCCC1
InChIInChI=1S/C13H25F3N2O/c14-13(15,16)11-19-10-4-9-18(8-3-7-17)12-5-1-2-6-12/h12H,1-11,17H2
InChIKeyLQFRUJURQINIPE-UHFFFAOYSA-N
XLogP2.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43765322
1-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
CID 54961713
N-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
CID 54961965
N-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
CID 54961966
N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
CID 54962034
N-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
CID 54962087
N'-cyclopentyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 54962210
N'-propan-2-yl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
CID 54962226
N'-cyclopropyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
CID 54962227
1-N,1-N-dimethyl-3-N-[3-(2,2,2-trifluoroethoxy)propyl]butane-1,3-diamine
CID 54963588
1-[3-(2,2,2-Trifluoroethoxy)propyl]piperidin-4-amine
CID 61490676
N-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
CID 61490713

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine?
The IUPAC name of N'-cyclopentyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine (CID 61491073) is N'-cyclopentyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine?
The canonical SMILES for N'-cyclopentyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine is NCCCN(CCCOCC(F)(F)F)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine?
The InChIKey is LQFRUJURQINIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c14-13(15,16)11-19-10-4-9-18(8-3-7-17)12-5-1-2-6-12/h12H,1-11,17H2.
What are the key properties of N'-cyclopentyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine?
N'-cyclopentyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine has a molecular weight of 282.35 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine is sourced from PubChem (CID 61491073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).