2-N-cyclopropyl-3-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C10H19F3N2O — CID 115002693

IUPAC2-N-cyclopropyl-3-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCOCC(C)(CN)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H19F3N2O/c1-9(5-14,7-16-2)15(8-3-4-8)6-10(11,12)13/h8H,3-7,14H2,1-2H3
InChIKeyJWXYOTQTGZACQG-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.38
Rot. Bonds6

About 2-N-cyclopropyl-3-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

2-N-cyclopropyl-3-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 115002693) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-N-cyclopropyl-3-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-3-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID115002693
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name2-N-cyclopropyl-3-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCOCC(C)(CN)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H19F3N2O/c1-9(5-14,7-16-2)15(8-3-4-8)6-10(11,12)13/h8H,3-7,14H2,1-2H3
InChIKeyJWXYOTQTGZACQG-UHFFFAOYSA-N
XLogP1.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-cyclopropyl-2-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine
CID 62537022
2-N-cyclopentyl-2-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine
CID 62535108
2-N-cyclopropyl-2-ethyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 114996634
3-methoxy-2-N,2-dimethyl-2-N-(3-methylcyclohexyl)propane-1,2-diamine
CID 62535497
2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N,2-dimethylpropane-1,2-diamine
CID 62536836
2-N-cyclohexyl-3-ethoxy-2-N-ethyl-2-methylpropane-1,2-diamine
CID 113493169
2-N-cyclopropyl-2-N-(2-methoxyethyl)-2-methylnonane-1,2-diamine
CID 61452960
2-(aminomethyl)-N-cyclopropyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 114290544
N-methyl-N-(2,2,2-trifluoroethyl)cyclopropanamine;hydrochloride
CID 90259041
1-amino-2-cyclopropyl-3-methoxypropan-2-ol
CID 64813573
2-N-cyclopropyl-2,5-dimethyl-2-N-(3-methylbutyl)hexane-1,2-diamine
CID 78974063
2-N,2-N-dibenzyl-3-methoxy-2-methylpropane-1,2-diamine
CID 130158297

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-3-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-3-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 115002693) is 2-N-cyclopropyl-3-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-3-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-3-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is COCC(C)(CN)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-3-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is JWXYOTQTGZACQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-9(5-14,7-16-2)15(8-3-4-8)6-10(11,12)13/h8H,3-7,14H2,1-2H3.
What are the key properties of 2-N-cyclopropyl-3-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
2-N-cyclopropyl-3-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 240.27 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-3-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 115002693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).