2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C13H26F3N3 — CID 105418084

IUPAC2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCC(CNCC(F)(F)F)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C13H26F3N3/c1-11(8-17-9-13(14,15)16)19(4)10-12(18(2)3)6-5-7-12/h11,17H,5-10H2,1-4H3
InChIKeyOTFUIBQZPAJQJO-UHFFFAOYSA-N
MW281.37 g/mol
LogP1.94
Rot. Bonds7

About 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 105418084) has the molecular formula C13H26F3N3 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID105418084
Molecular FormulaC13H26F3N3
Molecular Weight281.37 g/mol
Exact Mass281.21
IUPAC Name2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCC(CNCC(F)(F)F)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C13H26F3N3/c1-11(8-17-9-13(14,15)16)19(4)10-12(18(2)3)6-5-7-12/h11,17H,5-10H2,1-4H3
InChIKeyOTFUIBQZPAJQJO-UHFFFAOYSA-N
XLogP1.94
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine with MolForge

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Related Compounds

(S)-1-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine
CID 67772533
1-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine
CID 67772541
N'-cyclobutyl-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 116353228
4,4,4-trifluoro-2-N-methyl-1-N-propan-2-yl-2-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 117840616
4,4,4-trifluoro-2-N,2-N-dimethyl-1-N-propan-2-yl-2-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 117840953
2-N-(1,1,1,6,6,6-hexafluoro-3-methylhexan-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 117841106
N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]-N,2-dimethylpropan-2-amine
CID 124167619
N-[(3,3-difluorocyclobutyl)methyl]piperidin-3-amine
CID 131111154
tert-Butyl[(3,3-difluorocyclobutyl)methyl]amine
CID 131112753
(1R,2R)-1-N-tert-butyl-4,4-difluoro-2-N,2-N-dimethylcyclohexane-1,2-diamine
CID 134429452
3,3-difluoro-N-(2-methylbutan-2-yl)cyclobutan-1-amine
CID 139319962
2-(4,4-difluoropiperidin-1-yl)-N',2-dimethylbutane-1,4-diamine
CID 143933221

Frequently Asked Questions

What is the IUPAC name of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 105418084) is 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is CC(CNCC(F)(F)F)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is OTFUIBQZPAJQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3N3/c1-11(8-17-9-13(14,15)16)19(4)10-12(18(2)3)6-5-7-12/h11,17H,5-10H2,1-4H3.
What are the key properties of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 281.37 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 105418084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).