N'-cyclopropyl-N-(2-methoxyethyl)-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine

C12H23F3N2O — CID 62568426

IUPACN'-cyclopropyl-N-(2-methoxyethyl)-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
SMILESCOCCNCCCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H23F3N2O/c1-18-9-7-16-6-2-3-8-17(11-4-5-11)10-12(13,14)15/h11,16H,2-10H2,1H3
InChIKeyLLEGOQRVQHTQMV-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.03
Rot. Bonds10

About N'-cyclopropyl-N-(2-methoxyethyl)-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine

N'-cyclopropyl-N-(2-methoxyethyl)-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine (PubChem CID 62568426) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is N'-cyclopropyl-N-(2-methoxyethyl)-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-(2-methoxyethyl)-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
PubChem CID62568426
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC NameN'-cyclopropyl-N-(2-methoxyethyl)-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
SMILESCOCCNCCCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H23F3N2O/c1-18-9-7-16-6-2-3-8-17(11-4-5-11)10-12(13,14)15/h11,16H,2-10H2,1H3
InChIKeyLLEGOQRVQHTQMV-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.03
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'-cyclopropyl-N-methyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
CID 62428428
N'-cyclopropyl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine
CID 62437351
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
N'-cyclopropyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62426642
N,N'-dicyclopropyl-N'-(2-methoxyethyl)butane-1,4-diamine
CID 62434695
N'-cyclopropyl-N-(2-methylsulfonylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554664
N-(2-methoxyethyl)-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 103208171
N'-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine
CID 62562216
N',N'-dicyclohexyl-N-(2-methoxyethyl)propane-1,3-diamine
CID 63027895
2-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-1-ol
CID 64826690
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 65178290
N',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine
CID 62569487

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-(2-methoxyethyl)-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine?
The IUPAC name of N'-cyclopropyl-N-(2-methoxyethyl)-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine (CID 62568426) is N'-cyclopropyl-N-(2-methoxyethyl)-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine.
What is the SMILES notation for N'-cyclopropyl-N-(2-methoxyethyl)-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine?
The canonical SMILES for N'-cyclopropyl-N-(2-methoxyethyl)-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine is COCCNCCCCN(CC(F)(F)F)C1CC1.
What is the InChIKey of N'-cyclopropyl-N-(2-methoxyethyl)-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine?
The InChIKey is LLEGOQRVQHTQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-18-9-7-16-6-2-3-8-17(11-4-5-11)10-12(13,14)15/h11,16H,2-10H2,1H3.
What are the key properties of N'-cyclopropyl-N-(2-methoxyethyl)-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine?
N'-cyclopropyl-N-(2-methoxyethyl)-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine has a molecular weight of 268.32 g/mol, XLogP of 2.03, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-(2-methoxyethyl)-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine is sourced from PubChem (CID 62568426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).