2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethylazanide

C9H15N2O- — CID 142040916

IUPAC2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethylazanide
SMILESCOC1=CC=C(NCC[NH-])CC1
InChIInChI=1S/C9H15N2O/c1-12-9-4-2-8(3-5-9)11-7-6-10/h2,4,10-11H,3,5-7H2,1H3/q-1
InChIKeyCHQLEXOMHVJDGO-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.84
Rot. Bonds4

About 2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethylazanide

2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethylazanide (PubChem CID 142040916) has the molecular formula C9H15N2O- and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethylazanide.

Molecular Properties

Compound Name2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethylazanide
PubChem CID142040916
Molecular FormulaC9H15N2O-
Molecular Weight167.23 g/mol
Exact Mass167.12
IUPAC Name2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethylazanide
SMILESCOC1=CC=C(NCC[NH-])CC1
InChIInChI=1S/C9H15N2O/c1-12-9-4-2-8(3-5-9)11-7-6-10/h2,4,10-11H,3,5-7H2,1H3/q-1
InChIKeyCHQLEXOMHVJDGO-UHFFFAOYSA-N
XLogP1.84
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
1,2,3,4-Tetrahydrooxepino[3,2-b]pyridine
CID 126600707
6-diazenyl-4-methoxy-N-(methoxymethyl)cyclohexa-1,3-dien-1-amine
CID 134239293
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
ethane;1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]piperazine
CID 142202950
4-N-[2-(dimethylamino)ethyl]-2-methoxy-1-N,4-N-dimethylcyclohexa-1,3-diene-1,4-diamine
CID 144692979

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethylazanide?
The IUPAC name of 2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethylazanide (CID 142040916) is 2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethylazanide.
What is the SMILES notation for 2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethylazanide?
The canonical SMILES for 2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethylazanide is COC1=CC=C(NCC[NH-])CC1.
What is the InChIKey of 2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethylazanide?
The InChIKey is CHQLEXOMHVJDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2O/c1-12-9-4-2-8(3-5-9)11-7-6-10/h2,4,10-11H,3,5-7H2,1H3/q-1.
What are the key properties of 2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethylazanide?
2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethylazanide has a molecular weight of 167.23 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxycyclohexa-1,3-dien-1-yl)amino]ethylazanide is sourced from PubChem (CID 142040916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).