N-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)methanimine

C11H19N — CID 143323976

IUPACN-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)methanimine
SMILESC/N=C/C1C(C)=CCCC1(C)C
InChIInChI=1S/C11H19N/c1-9-6-5-7-11(2,3)10(9)8-12-4/h6,8,10H,5,7H2,1-4H3/b12-8+
InChIKeyXNCSDHCMOPVRCP-XYOKQWHBSA-N
MW165.28 g/mol
LogP3.07
Rot. Bonds1

About N-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)methanimine

N-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)methanimine (PubChem CID 143323976) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)methanimine.

Molecular Properties

Compound NameN-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)methanimine
PubChem CID143323976
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)methanimine
SMILESC/N=C/C1C(C)=CCCC1(C)C
InChIInChI=1S/C11H19N/c1-9-6-5-7-11(2,3)10(9)8-12-4/h6,8,10H,5,7H2,1-4H3/b12-8+
InChIKeyXNCSDHCMOPVRCP-XYOKQWHBSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-[(E)-but-1-enyl]-1,5,5-trimethylcyclohexene
CID 13329038
6-(3-methoxybut-1-enyl)-1,5,5-trimethylcyclohexene
CID 54139758
6-[(E)-3-methoxybut-1-enyl]-1,5,5-trimethylcyclohexene;methoxymethane
CID 70502775
(Z)-2-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-2-enal
CID 20838852
(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-ene-2-thiol
CID 21388154
6-(4-methoxy-3-methylbuta-1,3-dienyl)-1,5,5-trimethylcyclohexene
CID 141385053
(6S)-1,5,5,6-tetramethylcyclohexene
CID 11768696
(E)-2-(4-tert-butylphenyl)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol
CID 46202512
5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,2-oxazole
CID 10703996
1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
CID 152743365
3-methyl-2-oxo-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-enal
CID 141222182
(Z,3S)-1-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]pent-1-en-3-ol
CID 125183462

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)methanimine?
The IUPAC name of N-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)methanimine (CID 143323976) is N-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)methanimine.
What is the SMILES notation for N-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)methanimine?
The canonical SMILES for N-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)methanimine is C/N=C/C1C(C)=CCCC1(C)C.
What is the InChIKey of N-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)methanimine?
The InChIKey is XNCSDHCMOPVRCP-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H19N/c1-9-6-5-7-11(2,3)10(9)8-12-4/h6,8,10H,5,7H2,1-4H3/b12-8+.
What are the key properties of N-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)methanimine?
N-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)methanimine has a molecular weight of 165.28 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)methanimine is sourced from PubChem (CID 143323976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).