N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C11H22F3N3 — CID 79318682

IUPACN'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(CCNCC(F)(F)F)CC1CCCN1C
InChIInChI=1S/C11H22F3N3/c1-16(7-5-15-9-11(12,13)14)8-10-4-3-6-17(10)2/h10,15H,3-9H2,1-2H3
InChIKeyYVMNOAWHAWKJKC-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.16
Rot. Bonds6

About N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 79318682) has the molecular formula C11H22F3N3 and a molecular weight of 253.31 g/mol. Its IUPAC name is N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID79318682
Molecular FormulaC11H22F3N3
Molecular Weight253.31 g/mol
Exact Mass253.18
IUPAC NameN'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(CCNCC(F)(F)F)CC1CCCN1C
InChIInChI=1S/C11H22F3N3/c1-16(7-5-15-9-11(12,13)14)8-10-4-3-6-17(10)2/h10,15H,3-9H2,1-2H3
InChIKeyYVMNOAWHAWKJKC-UHFFFAOYSA-N
XLogP1.16
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.16
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'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propylethane-1,2-diamine
CID 79314040
N-butyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79312803
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 79314288
N-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine
CID 79314716
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]butane-1,4-diamine
CID 79312706
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]but-3-yn-1-amine
CID 79319044
2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanenitrile
CID 79315492
ethyl 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate
CID 79314533
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55233639
methyl 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoate
CID 79313620
N-methyl-1-(1-methylpyrrolidin-2-yl)-N-(oxiran-2-ylmethyl)methanamine
CID 79313818
(2R)-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 103935244

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 79318682) is N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CN(CCNCC(F)(F)F)CC1CCCN1C.
What is the InChIKey of N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is YVMNOAWHAWKJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3/c1-16(7-5-15-9-11(12,13)14)8-10-4-3-6-17(10)2/h10,15H,3-9H2,1-2H3.
What are the key properties of N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 253.31 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 79318682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).