(E)-N,N',N'-tritert-butyl-N-propan-2-ylethene-1,2-diamine

C17H36N2 — CID 89094043

IUPAC(E)-N,N',N'-tritert-butyl-N-propan-2-ylethene-1,2-diamine
SMILESCC(C)N(/C=C/N(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H36N2/c1-14(2)18(15(3,4)5)12-13-19(16(6,7)8)17(9,10)11/h12-14H,1-11H3/b13-12+
InChIKeyWNYKTDJPWWJKDW-OUKQBFOZSA-N
MW268.49 g/mol
LogP4.87
Rot. Bonds3

About (E)-N,N',N'-tritert-butyl-N-propan-2-ylethene-1,2-diamine

(E)-N,N',N'-tritert-butyl-N-propan-2-ylethene-1,2-diamine (PubChem CID 89094043) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is (E)-N,N',N'-tritert-butyl-N-propan-2-ylethene-1,2-diamine.

Molecular Properties

Compound Name(E)-N,N',N'-tritert-butyl-N-propan-2-ylethene-1,2-diamine
PubChem CID89094043
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name(E)-N,N',N'-tritert-butyl-N-propan-2-ylethene-1,2-diamine
SMILESCC(C)N(/C=C/N(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H36N2/c1-14(2)18(15(3,4)5)12-13-19(16(6,7)8)17(9,10)11/h12-14H,1-11H3/b13-12+
InChIKeyWNYKTDJPWWJKDW-OUKQBFOZSA-N
XLogP4.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N',N'-tritert-butyl-N-propan-2-ylethene-1,2-diamine?
The IUPAC name of (E)-N,N',N'-tritert-butyl-N-propan-2-ylethene-1,2-diamine (CID 89094043) is (E)-N,N',N'-tritert-butyl-N-propan-2-ylethene-1,2-diamine.
What is the SMILES notation for (E)-N,N',N'-tritert-butyl-N-propan-2-ylethene-1,2-diamine?
The canonical SMILES for (E)-N,N',N'-tritert-butyl-N-propan-2-ylethene-1,2-diamine is CC(C)N(/C=C/N(C(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (E)-N,N',N'-tritert-butyl-N-propan-2-ylethene-1,2-diamine?
The InChIKey is WNYKTDJPWWJKDW-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H36N2/c1-14(2)18(15(3,4)5)12-13-19(16(6,7)8)17(9,10)11/h12-14H,1-11H3/b13-12+.
What are the key properties of (E)-N,N',N'-tritert-butyl-N-propan-2-ylethene-1,2-diamine?
(E)-N,N',N'-tritert-butyl-N-propan-2-ylethene-1,2-diamine has a molecular weight of 268.49 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N',N'-tritert-butyl-N-propan-2-ylethene-1,2-diamine is sourced from PubChem (CID 89094043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).