N,5-dimethyl-N-oxidocyclohexa-1,3-dien-1-amine

C8H12NO- — CID 163587303

IUPACN,5-dimethyl-N-oxidocyclohexa-1,3-dien-1-amine
SMILESCC1C=CC=C(N(C)[O-])C1
InChIInChI=1S/C8H12NO/c1-7-4-3-5-8(6-7)9(2)10/h3-5,7H,6H2,1-2H3/q-1
InChIKeyUBISEDOFUVMPAH-UHFFFAOYSA-N
MW138.19 g/mol
LogP1.90
Rot. Bonds1

About N,5-dimethyl-N-oxidocyclohexa-1,3-dien-1-amine

N,5-dimethyl-N-oxidocyclohexa-1,3-dien-1-amine (PubChem CID 163587303) has the molecular formula C8H12NO- and a molecular weight of 138.19 g/mol. Its IUPAC name is N,5-dimethyl-N-oxidocyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-oxidocyclohexa-1,3-dien-1-amine
PubChem CID163587303
Molecular FormulaC8H12NO-
Molecular Weight138.19 g/mol
Exact Mass138.09
IUPAC NameN,5-dimethyl-N-oxidocyclohexa-1,3-dien-1-amine
SMILESCC1C=CC=C(N(C)[O-])C1
InChIInChI=1S/C8H12NO/c1-7-4-3-5-8(6-7)9(2)10/h3-5,7H,6H2,1-2H3/q-1
InChIKeyUBISEDOFUVMPAH-UHFFFAOYSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 146294835
5-methylcyclohexa-1,3-dien-1-amine
CID 67612284
(5S)-1-methoxy-5-methylcyclohexa-1,3-diene
CID 70326868
1-ethyl-5-methylcyclohexa-1,3-diene
CID 123887743
N-methyl-N-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]ethanamine;sulfane
CID 143576021
5-methylcyclohexa-1,3-diene-1-carbaldehyde
CID 71400816
5-methylcyclohexa-1,3-diene-1-sulfonamide
CID 134238552
3-methyl-N-(5-methylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 89375037
1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole
CID 142108490
N-ethenyl-5-methylcyclohexa-1,3-dien-1-amine
CID 146385734
N-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]propan-2-amine
CID 155380943
1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole-2,5-dione
CID 66669295

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-oxidocyclohexa-1,3-dien-1-amine?
The IUPAC name of N,5-dimethyl-N-oxidocyclohexa-1,3-dien-1-amine (CID 163587303) is N,5-dimethyl-N-oxidocyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N,5-dimethyl-N-oxidocyclohexa-1,3-dien-1-amine?
The canonical SMILES for N,5-dimethyl-N-oxidocyclohexa-1,3-dien-1-amine is CC1C=CC=C(N(C)[O-])C1.
What is the InChIKey of N,5-dimethyl-N-oxidocyclohexa-1,3-dien-1-amine?
The InChIKey is UBISEDOFUVMPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NO/c1-7-4-3-5-8(6-7)9(2)10/h3-5,7H,6H2,1-2H3/q-1.
What are the key properties of N,5-dimethyl-N-oxidocyclohexa-1,3-dien-1-amine?
N,5-dimethyl-N-oxidocyclohexa-1,3-dien-1-amine has a molecular weight of 138.19 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-oxidocyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 163587303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).