N'-(3-methoxy-4-methylcyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine

C13H24N2O — CID 144773978

IUPACN'-(3-methoxy-4-methylcyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCOC1=C(C)CCC(N(C)CCN(C)C)=C1
InChIInChI=1S/C13H24N2O/c1-11-6-7-12(10-13(11)16-5)15(4)9-8-14(2)3/h10H,6-9H2,1-5H3
InChIKeyLGHYZVWFUZLMNF-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.08
Rot. Bonds5

About N'-(3-methoxy-4-methylcyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine

N'-(3-methoxy-4-methylcyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 144773978) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N'-(3-methoxy-4-methylcyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-methoxy-4-methylcyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine
PubChem CID144773978
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN'-(3-methoxy-4-methylcyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCOC1=C(C)CCC(N(C)CCN(C)C)=C1
InChIInChI=1S/C13H24N2O/c1-11-6-7-12(10-13(11)16-5)15(4)9-8-14(2)3/h10H,6-9H2,1-5H3
InChIKeyLGHYZVWFUZLMNF-UHFFFAOYSA-N
XLogP2.08
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methoxy-3-methylcyclohexa-1,3-dien-1-yl)pyrrolidine
CID 68381378
3-methoxy-N,N-di(propan-2-yl)cyclohexa-1,3-dien-1-amine
CID 89569363
6-ethylidene-3-methoxy-N,N-dimethyl-5-methylidenecyclohexa-1,3-dien-1-amine
CID 123475527
2-(2-Methoxyprop-2-enylidene)-1-methyl-3-methylidenepiperidine
CID 123572370
3-[Ethyl(methyl)amino]propyl-[(3-methoxycyclohexa-1,3-dien-1-yl)methyl]-dimethylazanium
CID 123996601
N'-(4-ethynyl-3-methoxycyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 144516230
4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methylcyclohexa-1,3-diene-1,4-diamine
CID 144631176
2-N-(3-methoxycyclohexa-1,3-dien-1-yl)-1-N,2-N,2-trimethyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 144662364
4-N-[2-(dimethylamino)ethyl]-2-methoxy-1-N,4-N-dimethylcyclohexa-1,3-diene-1,4-diamine
CID 144692979
ethane;N-[1-(3-methoxycyclohexa-1,3-dien-1-yl)ethyl]-N-methylpropan-1-amine
CID 145352662
N'-(3-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
CID 145360702
N,N'-diethyl-N'-[(3E,5E)-3-ethyl-5-methoxyhepta-1,3,5-trien-2-yl]-N-methylpropane-1,3-diamine
CID 156421002

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxy-4-methylcyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-(3-methoxy-4-methylcyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine (CID 144773978) is N'-(3-methoxy-4-methylcyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-(3-methoxy-4-methylcyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-(3-methoxy-4-methylcyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine is COC1=C(C)CCC(N(C)CCN(C)C)=C1.
What is the InChIKey of N'-(3-methoxy-4-methylcyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is LGHYZVWFUZLMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11-6-7-12(10-13(11)16-5)15(4)9-8-14(2)3/h10H,6-9H2,1-5H3.
What are the key properties of N'-(3-methoxy-4-methylcyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine?
N'-(3-methoxy-4-methylcyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxy-4-methylcyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 144773978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).