N'-cyclopropyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C11H21F3N2 — CID 62426642

IUPACN'-cyclopropyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCC(C)CNCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H21F3N2/c1-9(2)7-15-5-6-16(10-3-4-10)8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyGISXNILYODHNQV-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.26
Rot. Bonds7

About N'-cyclopropyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-cyclopropyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 62426642) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is N'-cyclopropyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID62426642
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC NameN'-cyclopropyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCC(C)CNCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H21F3N2/c1-9(2)7-15-5-6-16(10-3-4-10)8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyGISXNILYODHNQV-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.26
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

N'-cyclopropyl-N-(1-cyclopropylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555483
N'-cyclopropyl-N-(2-methylsulfonylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554664
N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 107556125
N'-cyclopropyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
CID 62428833
N'-cyclopropyl-N-methyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
CID 62428428
N-cyclopropyl-2-ethyl-2-methyl-N'-(2-methylpropyl)-N-propylpropane-1,3-diamine
CID 62263679
N'-cyclopropyl-N-(2-methoxyethyl)-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
CID 62568426
N-cyclopropyl-2-ethyl-2-methyl-N-(3-methylbutyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 78944163
N'-cyclopropyl-N-(3-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554163
1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol
CID 62624111
N'-ethyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62426982
1-N-(2-methylpropyl)-3-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 55073773

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 62426642) is N'-cyclopropyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CC(C)CNCCN(CC(F)(F)F)C1CC1.
What is the InChIKey of N'-cyclopropyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is GISXNILYODHNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-9(2)7-15-5-6-16(10-3-4-10)8-11(12,13)14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of N'-cyclopropyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-cyclopropyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 238.30 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 62426642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).