N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C12H23F3N2O — CID 62558545

IUPACN'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCOCCN(CCNCC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C12H23F3N2O/c1-10(11-3-4-11)17(7-8-18-2)6-5-16-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyYLCSVLXRMAFQBH-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.89
Rot. Bonds9

About N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 62558545) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID62558545
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC NameN'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCOCCN(CCNCC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C12H23F3N2O/c1-10(11-3-4-11)17(7-8-18-2)6-5-16-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyYLCSVLXRMAFQBH-UHFFFAOYSA-N
XLogP1.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.89
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

1-methoxy-3-methyl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 123233577
N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 172334325
N-methyl-2-(trifluoromethoxy)-N-[[4-(trifluoromethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 172334571
N-ethyl-2-(trifluoromethoxy)-N-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 172334627
ethane;N-methyl-2-(trifluoromethoxy)-N-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 172334839
N-[(4-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 172335350
ethane;N-methyl-N-[(4-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 172335747
N'-methyl-N'-(2-methylpropyl)-N-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine
CID 172335818
N-(2-methylpropyl)-N'-propan-2-yl-N'-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine
CID 176601052
N'-cyclopentyl-N'-propan-2-yl-N-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine
CID 176601790
1-N,1-N,3-trimethyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]butane-1,2-diamine
CID 54962069
1-N,1-N,4-trimethyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentane-1,2-diamine
CID 54963578

Frequently Asked Questions

What is the IUPAC name of N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 62558545) is N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is COCCN(CCNCC(F)(F)F)C(C)C1CC1.
What is the InChIKey of N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is YLCSVLXRMAFQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-10(11-3-4-11)17(7-8-18-2)6-5-16-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3.
What are the key properties of N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 268.32 g/mol, XLogP of 1.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 62558545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).