N'-(2-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine

C11H20N2O — CID 130281454

IUPACN'-(2-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)C1=C(OC)C=CCC1
InChIInChI=1S/C11H20N2O/c1-12-8-9-13(2)10-6-4-5-7-11(10)14-3/h5,7,12H,4,6,8-9H2,1-3H3
InChIKeyWZGLJPUHCDBOGN-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.35
Rot. Bonds5

About N'-(2-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine

N'-(2-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 130281454) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N'-(2-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
PubChem CID130281454
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN'-(2-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)C1=C(OC)C=CCC1
InChIInChI=1S/C11H20N2O/c1-12-8-9-13(2)10-6-4-5-7-11(10)14-3/h5,7,12H,4,6,8-9H2,1-3H3
InChIKeyWZGLJPUHCDBOGN-UHFFFAOYSA-N
XLogP1.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(2-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine (CID 130281454) is N'-(2-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine is CNCCN(C)C1=C(OC)C=CCC1.
What is the InChIKey of N'-(2-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is WZGLJPUHCDBOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-12-8-9-13(2)10-6-4-5-7-11(10)14-3/h5,7,12H,4,6,8-9H2,1-3H3.
What are the key properties of N'-(2-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine?
N'-(2-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 196.29 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 130281454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).