N,N'-diethyl-N,N'-bis(4-methylidenecyclohexa-1,5-dien-1-yl)ethane-1,2-diamine

C20H28N2 — CID 67265563

IUPACN,N'-diethyl-N,N'-bis(4-methylidenecyclohexa-1,5-dien-1-yl)ethane-1,2-diamine
SMILESC=C1C=CC(N(CC)CCN(CC)C2=CCC(=C)C=C2)=CC1
InChIInChI=1S/C20H28N2/c1-5-21(19-11-7-17(3)8-12-19)15-16-22(6-2)20-13-9-18(4)10-14-20/h7,9,11-14H,3-6,8,10,15-16H2,1-2H3
InChIKeyGANOWTHPHUIXFD-UHFFFAOYSA-N
MW296.46 g/mol
LogP4.43
Rot. Bonds7

About N,N'-diethyl-N,N'-bis(4-methylidenecyclohexa-1,5-dien-1-yl)ethane-1,2-diamine

N,N'-diethyl-N,N'-bis(4-methylidenecyclohexa-1,5-dien-1-yl)ethane-1,2-diamine (PubChem CID 67265563) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is N,N'-diethyl-N,N'-bis(4-methylidenecyclohexa-1,5-dien-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-diethyl-N,N'-bis(4-methylidenecyclohexa-1,5-dien-1-yl)ethane-1,2-diamine
PubChem CID67265563
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC NameN,N'-diethyl-N,N'-bis(4-methylidenecyclohexa-1,5-dien-1-yl)ethane-1,2-diamine
SMILESC=C1C=CC(N(CC)CCN(CC)C2=CCC(=C)C=C2)=CC1
InChIInChI=1S/C20H28N2/c1-5-21(19-11-7-17(3)8-12-19)15-16-22(6-2)20-13-9-18(4)10-14-20/h7,9,11-14H,3-6,8,10,15-16H2,1-2H3
InChIKeyGANOWTHPHUIXFD-UHFFFAOYSA-N
XLogP4.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-N,N'-bis(4-methylidenecyclohexa-1,5-dien-1-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-diethyl-N,N'-bis(4-methylidenecyclohexa-1,5-dien-1-yl)ethane-1,2-diamine (CID 67265563) is N,N'-diethyl-N,N'-bis(4-methylidenecyclohexa-1,5-dien-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-diethyl-N,N'-bis(4-methylidenecyclohexa-1,5-dien-1-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-diethyl-N,N'-bis(4-methylidenecyclohexa-1,5-dien-1-yl)ethane-1,2-diamine is C=C1C=CC(N(CC)CCN(CC)C2=CCC(=C)C=C2)=CC1.
What is the InChIKey of N,N'-diethyl-N,N'-bis(4-methylidenecyclohexa-1,5-dien-1-yl)ethane-1,2-diamine?
The InChIKey is GANOWTHPHUIXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-5-21(19-11-7-17(3)8-12-19)15-16-22(6-2)20-13-9-18(4)10-14-20/h7,9,11-14H,3-6,8,10,15-16H2,1-2H3.
What are the key properties of N,N'-diethyl-N,N'-bis(4-methylidenecyclohexa-1,5-dien-1-yl)ethane-1,2-diamine?
N,N'-diethyl-N,N'-bis(4-methylidenecyclohexa-1,5-dien-1-yl)ethane-1,2-diamine has a molecular weight of 296.46 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N,N'-bis(4-methylidenecyclohexa-1,5-dien-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 67265563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).