N-(dicyclopropylmethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C12H21F3N2 — CID 62560287

IUPACN-(dicyclopropylmethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(CCNC(C1CC1)C1CC1)CC(F)(F)F
InChIInChI=1S/C12H21F3N2/c1-17(8-12(13,14)15)7-6-16-11(9-2-3-9)10-4-5-10/h9-11,16H,2-8H2,1H3
InChIKeyCWSNIQKGMZLABI-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.26
Rot. Bonds7

About N-(dicyclopropylmethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N-(dicyclopropylmethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 62560287) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID62560287
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC NameN-(dicyclopropylmethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(CCNC(C1CC1)C1CC1)CC(F)(F)F
InChIInChI=1S/C12H21F3N2/c1-17(8-12(13,14)15)7-6-16-11(9-2-3-9)10-4-5-10/h9-11,16H,2-8H2,1H3
InChIKeyCWSNIQKGMZLABI-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N-(dicyclopropylmethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 62560287) is N-(dicyclopropylmethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N-(dicyclopropylmethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CN(CCNC(C1CC1)C1CC1)CC(F)(F)F.
What is the InChIKey of N-(dicyclopropylmethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is CWSNIQKGMZLABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-17(8-12(13,14)15)7-6-16-11(9-2-3-9)10-4-5-10/h9-11,16H,2-8H2,1H3.
What are the key properties of N-(dicyclopropylmethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N-(dicyclopropylmethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 250.31 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-(dicyclopropylmethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 62560287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).