N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine

C11H20N2O — CID 162686620

IUPACN'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)C1=CC=C(OC)CC1
InChIInChI=1S/C11H20N2O/c1-12-8-9-13(2)10-4-6-11(14-3)7-5-10/h4,6,12H,5,7-9H2,1-3H3
InChIKeyVLRLBUKETPRUEH-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.35
Rot. Bonds5

About N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine

N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 162686620) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
PubChem CID162686620
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)C1=CC=C(OC)CC1
InChIInChI=1S/C11H20N2O/c1-12-8-9-13(2)10-4-6-11(14-3)7-5-10/h4,6,12H,5,7-9H2,1-3H3
InChIKeyVLRLBUKETPRUEH-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

N-ethyl-2-fluoro-4-methoxycyclohexa-1,3-dien-1-amine
CID 145513424
5-fluoro-2-N-(4-methoxybutyl)-1-N-methylcyclohexa-2,4-diene-1,2-diamine
CID 163593329
4-methoxy-N-methylcyclohexa-1,3-dien-1-amine
CID 68056392
4-ethoxy-N-methylcyclohexa-1,3-dien-1-amine
CID 68394016
(3R)-1-(3-tert-butyl-4-methoxycyclohexa-1,3-dien-1-yl)-3-methylpiperazine
CID 70276953
5-methoxy-N-propan-2-ylcyclohexa-1,5-dien-1-amine
CID 90162925
N'-(2-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
CID 130281454
Ethane;1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine
CID 142040618
1-(4-Methoxycyclohexa-1,3-dien-1-yl)imidazolidine
CID 142040619
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
2-[(4-Methoxycyclohexa-1,3-dien-1-yl)amino]ethylazanide
CID 142040916

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine (CID 162686620) is N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine is CNCCN(C)C1=CC=C(OC)CC1.
What is the InChIKey of N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is VLRLBUKETPRUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-12-8-9-13(2)10-4-6-11(14-3)7-5-10/h4,6,12H,5,7-9H2,1-3H3.
What are the key properties of N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine?
N'-(4-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'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 162686620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).