2-methyl-N-(2-methylpropyl)-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

C16H33F3N2 — CID 63494396

IUPAC2-methyl-N-(2-methylpropyl)-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCCC(C)(CNCC(C)C)CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C16H33F3N2/c1-7-8-15(6,10-20-9-13(2)3)11-21(14(4)5)12-16(17,18)19/h13-14,20H,7-12H2,1-6H3
InChIKeyCXCRZCOEGHNHTA-UHFFFAOYSA-N
MW310.45 g/mol
LogP4.31
Rot. Bonds10

About 2-methyl-N-(2-methylpropyl)-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

2-methyl-N-(2-methylpropyl)-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 63494396) has the molecular formula C16H33F3N2 and a molecular weight of 310.45 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID63494396
Molecular FormulaC16H33F3N2
Molecular Weight310.45 g/mol
Exact Mass310.26
IUPAC Name2-methyl-N-(2-methylpropyl)-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCCC(C)(CNCC(C)C)CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C16H33F3N2/c1-7-8-15(6,10-20-9-13(2)3)11-21(14(4)5)12-16(17,18)19/h13-14,20H,7-12H2,1-6H3
InChIKeyCXCRZCOEGHNHTA-UHFFFAOYSA-N
XLogP4.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 63494396) is 2-methyl-N-(2-methylpropyl)-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCCC(C)(CNCC(C)C)CN(CC(F)(F)F)C(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is CXCRZCOEGHNHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33F3N2/c1-7-8-15(6,10-20-9-13(2)3)11-21(14(4)5)12-16(17,18)19/h13-14,20H,7-12H2,1-6H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
2-methyl-N-(2-methylpropyl)-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 310.45 g/mol, XLogP of 4.31, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-N'-propan-2-yl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 63494396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).