N-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine

C11H21N — CID 2855350

IUPACN-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine
SMILESCNCC1C(C)C=C(C)CC1C
InChIInChI=1S/C11H21N/c1-8-5-9(2)11(7-12-4)10(3)6-8/h5,9-12H,6-7H2,1-4H3
InChIKeyPWAQHLVFMIZZFN-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.44
Rot. Bonds2

About N-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine

N-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine (PubChem CID 2855350) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine
PubChem CID2855350
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine
SMILESCNCC1C(C)C=C(C)CC1C
InChIInChI=1S/C11H21N/c1-8-5-9(2)11(7-12-4)10(3)6-8/h5,9-12H,6-7H2,1-4H3
InChIKeyPWAQHLVFMIZZFN-UHFFFAOYSA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine?
The IUPAC name of N-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine (CID 2855350) is N-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine?
The canonical SMILES for N-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine is CNCC1C(C)C=C(C)CC1C.
What is the InChIKey of N-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine?
The InChIKey is PWAQHLVFMIZZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-8-5-9(2)11(7-12-4)10(3)6-8/h5,9-12H,6-7H2,1-4H3.
What are the key properties of N-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine?
N-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine has a molecular weight of 167.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine is sourced from PubChem (CID 2855350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).