(Z)-N-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-N'-[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]ethene-1,2-diamine

C26H42N2 — CID 70865570

IUPAC(Z)-N-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-N'-[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]ethene-1,2-diamine
SMILESCC(C)C1=CCCC(C(C)C)=C1N/C=C\NC1=C(C(C)C)C=CCC1C(C)C
InChIInChI=1S/C26H42N2/c1-17(2)21-11-9-12-22(18(3)4)25(21)27-15-16-28-26-23(19(5)6)13-10-14-24(26)20(7)8/h9,11,13,15-20,22,27-28H,10,12,14H2,1-8H3/b16-15-
InChIKeyWABHOEACBWKZRA-NXVVXOECSA-N
MW382.64 g/mol
LogP7.07
Rot. Bonds8

About (Z)-N-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-N'-[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]ethene-1,2-diamine

(Z)-N-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-N'-[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]ethene-1,2-diamine (PubChem CID 70865570) has the molecular formula C26H42N2 and a molecular weight of 382.64 g/mol. Its IUPAC name is (Z)-N-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-N'-[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-N-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-N'-[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]ethene-1,2-diamine
PubChem CID70865570
Molecular FormulaC26H42N2
Molecular Weight382.64 g/mol
Exact Mass382.33
IUPAC Name(Z)-N-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-N'-[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]ethene-1,2-diamine
SMILESCC(C)C1=CCCC(C(C)C)=C1N/C=C\NC1=C(C(C)C)C=CCC1C(C)C
InChIInChI=1S/C26H42N2/c1-17(2)21-11-9-12-22(18(3)4)25(21)27-15-16-28-26-23(19(5)6)13-10-14-24(26)20(7)8/h9,11,13,15-20,22,27-28H,10,12,14H2,1-8H3/b16-15-
InChIKeyWABHOEACBWKZRA-NXVVXOECSA-N
XLogP7.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.64
LogP ≤ 57.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (Z)-N-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-N'-[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]ethene-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-N'-[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]ethene-1,2-diamine?
The IUPAC name of (Z)-N-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-N'-[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]ethene-1,2-diamine (CID 70865570) is (Z)-N-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-N'-[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]ethene-1,2-diamine.
What is the SMILES notation for (Z)-N-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-N'-[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]ethene-1,2-diamine?
The canonical SMILES for (Z)-N-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-N'-[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]ethene-1,2-diamine is CC(C)C1=CCCC(C(C)C)=C1N/C=C\NC1=C(C(C)C)C=CCC1C(C)C.
What is the InChIKey of (Z)-N-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-N'-[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]ethene-1,2-diamine?
The InChIKey is WABHOEACBWKZRA-NXVVXOECSA-N. The full InChI is InChI=1S/C26H42N2/c1-17(2)21-11-9-12-22(18(3)4)25(21)27-15-16-28-26-23(19(5)6)13-10-14-24(26)20(7)8/h9,11,13,15-20,22,27-28H,10,12,14H2,1-8H3/b16-15-.
What are the key properties of (Z)-N-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-N'-[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]ethene-1,2-diamine?
(Z)-N-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-N'-[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]ethene-1,2-diamine has a molecular weight of 382.64 g/mol, XLogP of 7.07, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-N'-[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]ethene-1,2-diamine is sourced from PubChem (CID 70865570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).