3-methoxy-N-methylcyclohex-2-en-1-imine

C8H13NO — CID 13217914

IUPAC3-methoxy-N-methylcyclohex-2-en-1-imine
SMILESC/N=C1/C=C(OC)CCC1
InChIInChI=1S/C8H13NO/c1-9-7-4-3-5-8(6-7)10-2/h6H,3-5H2,1-2H3/b9-7+
InChIKeyUUIZXXSEOOUENW-VQHVLOKHSA-N
MW139.20 g/mol
LogP1.77
Rot. Bonds1

About 3-methoxy-N-methylcyclohex-2-en-1-imine

3-methoxy-N-methylcyclohex-2-en-1-imine (PubChem CID 13217914) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-methoxy-N-methylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name3-methoxy-N-methylcyclohex-2-en-1-imine
PubChem CID13217914
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-methoxy-N-methylcyclohex-2-en-1-imine
SMILESC/N=C1/C=C(OC)CCC1
InChIInChI=1S/C8H13NO/c1-9-7-4-3-5-8(6-7)10-2/h6H,3-5H2,1-2H3/b9-7+
InChIKeyUUIZXXSEOOUENW-VQHVLOKHSA-N
XLogP1.77
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-methoxy(213C)cyclohex-2-en-1-one
CID 11789224
(2E,6E,8Z)-8-ethylidene-3,6-dimethoxy-N-methylcycloocta-2,6-dien-1-imine
CID 143025790
2,6-dimethoxy-8,9-dihydro-7H-benzo[7]annulene
CID 143787705
(1E)-1-methoxycyclotridecene
CID 5463530
(1E)-1-methoxycyclotetradecene
CID 164771746
3-methoxy-7-propan-2-ylcyclohept-2-en-1-one
CID 91416101
1-chloro-4-methoxy-2-methylcyclohexa-1,3-diene
CID 130216991
(NZ)-N-[3-(4-methoxyphenyl)cyclohex-2-en-1-ylidene]hydroxylamine
CID 14972997
(NE)-N-(3-methoxy-5-methylcyclohex-2-en-1-ylidene)hydroxylamine
CID 45090914
2-bromo-5-methoxycyclohexa-1,5-dien-1-ol
CID 147072342
3-methoxy-4-methyliminocyclohex-2-en-1-one
CID 143182781
1,5-dimethoxycyclohepta-1,4-diene
CID 156747546

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methylcyclohex-2-en-1-imine?
The IUPAC name of 3-methoxy-N-methylcyclohex-2-en-1-imine (CID 13217914) is 3-methoxy-N-methylcyclohex-2-en-1-imine.
What is the SMILES notation for 3-methoxy-N-methylcyclohex-2-en-1-imine?
The canonical SMILES for 3-methoxy-N-methylcyclohex-2-en-1-imine is C/N=C1/C=C(OC)CCC1.
What is the InChIKey of 3-methoxy-N-methylcyclohex-2-en-1-imine?
The InChIKey is UUIZXXSEOOUENW-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H13NO/c1-9-7-4-3-5-8(6-7)10-2/h6H,3-5H2,1-2H3/b9-7+.
What are the key properties of 3-methoxy-N-methylcyclohex-2-en-1-imine?
3-methoxy-N-methylcyclohex-2-en-1-imine has a molecular weight of 139.20 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methylcyclohex-2-en-1-imine is sourced from PubChem (CID 13217914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).