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

C11H20N2O — CID 145360702

IUPACN'-(3-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)C1=CC(OC)=CCC1
InChIInChI=1S/C11H20N2O/c1-12-7-8-13(2)10-5-4-6-11(9-10)14-3/h6,9,12H,4-5,7-8H2,1-3H3
InChIKeyRGSQVGOPQVNRAT-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.35
Rot. Bonds5

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

N'-(3-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 145360702) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N'-(3-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
PubChem CID145360702
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN'-(3-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)C1=CC(OC)=CCC1
InChIInChI=1S/C11H20N2O/c1-12-7-8-13(2)10-5-4-6-11(9-10)14-3/h6,9,12H,4-5,7-8H2,1-3H3
InChIKeyRGSQVGOPQVNRAT-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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Related Compounds

4-N-cyclohexa-1,3-dien-1-yl-2-methoxycyclohexa-1,3-diene-1,4-diamine
CID 68200179
1-(2-Ethoxycyclohexa-1,3-dien-1-yl)piperazine
CID 70790710
3-methoxy-N-(3-nitrosopropyl)cyclohexa-1,3-dien-1-amine
CID 88574705
6-Methoxy-1,2,4a,8a-tetrahydroquinolin-8-amine
CID 89264896
3-methoxy-N,N-di(propan-2-yl)cyclohexa-1,3-dien-1-amine
CID 89569363
N-ethyl-N'-methyl-N'-(5-prop-1-en-2-yloxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
CID 129045993
N'-(2-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
CID 130281454
(3E)-N-ethyl-5-methoxyhexa-3,5-dien-3-amine
CID 134333921
(3E)-5-methoxy-N-propylhexa-3,5-dien-3-amine
CID 134334085
N-(azetidin-3-yl)-N'-(2-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
CID 142022928
N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethane-1,2-diamine
CID 142040765
2-[(4-Methoxycyclohexa-1,3-dien-1-yl)amino]ethyl-methylazanide
CID 142040884

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(3-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine (CID 145360702) is N'-(3-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(3-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(3-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine is CNCCN(C)C1=CC(OC)=CCC1.
What is the InChIKey of N'-(3-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is RGSQVGOPQVNRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-12-7-8-13(2)10-5-4-6-11(9-10)14-3/h6,9,12H,4-5,7-8H2,1-3H3.
What are the key properties of N'-(3-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine?
N'-(3-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'-(3-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 145360702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).