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

C12H22N2O — CID 145162354

IUPACN'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCOC1=CC=C(N(C)CCN(C)C)CC1
InChIInChI=1S/C12H22N2O/c1-13(2)9-10-14(3)11-5-7-12(15-4)8-6-11/h5,7H,6,8-10H2,1-4H3
InChIKeyXFVXNHHOWUXKQX-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.69
Rot. Bonds5

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

N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 145162354) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine
PubChem CID145162354
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCOC1=CC=C(N(C)CCN(C)C)CC1
InChIInChI=1S/C12H22N2O/c1-13(2)9-10-14(3)11-5-7-12(15-4)8-6-11/h5,7H,6,8-10H2,1-4H3
InChIKeyXFVXNHHOWUXKQX-UHFFFAOYSA-N
XLogP1.69
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 68394026
4-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 123735018
1-Butyl-5-methoxy-3a,4-dihydrobenzotriazole
CID 134239493
N'-(1-tert-butylazetidin-3-yl)-N'-iodo-N-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethane-1,2-diamine
CID 142022952
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
1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine;prop-1-ene
CID 142106560
4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methylcyclohexa-1,3-diene-1,4-diamine
CID 144631176
2-N-(4-methoxycyclohexa-1,3-dien-1-yl)-1-N,2-N,2-trimethyl-1-N-propan-2-ylpropane-1,2-diamine
CID 144662388
ethane;N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 145162365
1-(4-Methoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 148531533

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine (CID 145162354) is N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine is COC1=CC=C(N(C)CCN(C)C)CC1.
What is the InChIKey of N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is XFVXNHHOWUXKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-13(2)9-10-14(3)11-5-7-12(15-4)8-6-11/h5,7H,6,8-10H2,1-4H3.
What are the key properties of N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine?
N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 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,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 145162354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).