(Z)-N,N'-bis[2,6-di(propan-2-yl)phenyl]-N,N'-dimethylethene-1,2-diamine

C28H42N2 — CID 90429610

IUPAC(Z)-N,N'-bis[2,6-di(propan-2-yl)phenyl]-N,N'-dimethylethene-1,2-diamine
SMILESCC(C)c1cccc(C(C)C)c1N(C)/C=C\N(C)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C28H42N2/c1-19(2)23-13-11-14-24(20(3)4)27(23)29(9)17-18-30(10)28-25(21(5)6)15-12-16-26(28)22(7)8/h11-22H,1-10H3/b18-17-
InChIKeyRNEPKZZFXIIGJD-ZCXUNETKSA-N
MW406.66 g/mol
LogP8.22
Rot. Bonds8

About (Z)-N,N'-bis[2,6-di(propan-2-yl)phenyl]-N,N'-dimethylethene-1,2-diamine

(Z)-N,N'-bis[2,6-di(propan-2-yl)phenyl]-N,N'-dimethylethene-1,2-diamine (PubChem CID 90429610) has the molecular formula C28H42N2 and a molecular weight of 406.66 g/mol. Its IUPAC name is (Z)-N,N'-bis[2,6-di(propan-2-yl)phenyl]-N,N'-dimethylethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-N,N'-bis[2,6-di(propan-2-yl)phenyl]-N,N'-dimethylethene-1,2-diamine
PubChem CID90429610
Molecular FormulaC28H42N2
Molecular Weight406.66 g/mol
Exact Mass406.33
IUPAC Name(Z)-N,N'-bis[2,6-di(propan-2-yl)phenyl]-N,N'-dimethylethene-1,2-diamine
SMILESCC(C)c1cccc(C(C)C)c1N(C)/C=C\N(C)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C28H42N2/c1-19(2)23-13-11-14-24(20(3)4)27(23)29(9)17-18-30(10)28-25(21(5)6)15-12-16-26(28)22(7)8/h11-22H,1-10H3/b18-17-
InChIKeyRNEPKZZFXIIGJD-ZCXUNETKSA-N
XLogP8.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.66
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole
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CID 70397314
CID 136741886
CID 136741886
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CID 167190465

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N'-bis[2,6-di(propan-2-yl)phenyl]-N,N'-dimethylethene-1,2-diamine?
The IUPAC name of (Z)-N,N'-bis[2,6-di(propan-2-yl)phenyl]-N,N'-dimethylethene-1,2-diamine (CID 90429610) is (Z)-N,N'-bis[2,6-di(propan-2-yl)phenyl]-N,N'-dimethylethene-1,2-diamine.
What is the SMILES notation for (Z)-N,N'-bis[2,6-di(propan-2-yl)phenyl]-N,N'-dimethylethene-1,2-diamine?
The canonical SMILES for (Z)-N,N'-bis[2,6-di(propan-2-yl)phenyl]-N,N'-dimethylethene-1,2-diamine is CC(C)c1cccc(C(C)C)c1N(C)/C=C\N(C)c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of (Z)-N,N'-bis[2,6-di(propan-2-yl)phenyl]-N,N'-dimethylethene-1,2-diamine?
The InChIKey is RNEPKZZFXIIGJD-ZCXUNETKSA-N. The full InChI is InChI=1S/C28H42N2/c1-19(2)23-13-11-14-24(20(3)4)27(23)29(9)17-18-30(10)28-25(21(5)6)15-12-16-26(28)22(7)8/h11-22H,1-10H3/b18-17-.
What are the key properties of (Z)-N,N'-bis[2,6-di(propan-2-yl)phenyl]-N,N'-dimethylethene-1,2-diamine?
(Z)-N,N'-bis[2,6-di(propan-2-yl)phenyl]-N,N'-dimethylethene-1,2-diamine has a molecular weight of 406.66 g/mol, XLogP of 8.22, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N'-bis[2,6-di(propan-2-yl)phenyl]-N,N'-dimethylethene-1,2-diamine is sourced from PubChem (CID 90429610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).