6-methoxy-N-methylcyclohexa-2,4-dien-1-amine

C8H13NO — CID 91355052

IUPAC6-methoxy-N-methylcyclohexa-2,4-dien-1-amine
SMILESCNC1C=CC=CC1OC
InChIInChI=1S/C8H13NO/c1-9-7-5-3-4-6-8(7)10-2/h3-9H,1-2H3
InChIKeyKNGPKFJNKXDWJJ-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.72
Rot. Bonds2

About 6-methoxy-N-methylcyclohexa-2,4-dien-1-amine

6-methoxy-N-methylcyclohexa-2,4-dien-1-amine (PubChem CID 91355052) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 6-methoxy-N-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-methoxy-N-methylcyclohexa-2,4-dien-1-amine
PubChem CID91355052
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name6-methoxy-N-methylcyclohexa-2,4-dien-1-amine
SMILESCNC1C=CC=CC1OC
InChIInChI=1S/C8H13NO/c1-9-7-5-3-4-6-8(7)10-2/h3-9H,1-2H3
InChIKeyKNGPKFJNKXDWJJ-UHFFFAOYSA-N
XLogP0.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,5a,9a-Tetrahydro-1,5-benzoxazepine
CID 90948820
N-methyl-6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 124032128
7-fluoro-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine
CID 166944297
(5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,5-dien-3-amine
CID 145312229
4-Fluoro-6-propan-2-yloxycyclohexa-2,4-dien-1-amine
CID 145312380
3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine
CID 22475307
6-Methoxycyclohexa-2,4-dien-1-amine
CID 23505191
2,3,3a,7a-Tetrahydro-1,3-benzoxazole
CID 53683210
3-Propan-2-yloxy-1,2,3,6-tetrahydropyridine
CID 57751839
2,5,8,11,14-Pentaoxa-17-azabicyclo[16.4.0]docosa-19,21-diene
CID 58722121
(E,4R)-4,6-dimethoxy-5-N-methylhex-2-ene-1,5-diamine
CID 58730214
(E,3R)-1,3,6-trimethoxy-N-methylhex-4-en-2-amine
CID 58730223

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-methoxy-N-methylcyclohexa-2,4-dien-1-amine (CID 91355052) is 6-methoxy-N-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-methoxy-N-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-methoxy-N-methylcyclohexa-2,4-dien-1-amine is CNC1C=CC=CC1OC.
What is the InChIKey of 6-methoxy-N-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is KNGPKFJNKXDWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-9-7-5-3-4-6-8(7)10-2/h3-9H,1-2H3.
What are the key properties of 6-methoxy-N-methylcyclohexa-2,4-dien-1-amine?
6-methoxy-N-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 139.20 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 91355052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).