N,N-dimethyl-1-(1,4,5,6-tetramethylcyclohex-2-en-1-yl)methanamine

C13H25N — CID 54420463

IUPACN,N-dimethyl-1-(1,4,5,6-tetramethylcyclohex-2-en-1-yl)methanamine
SMILESCC1C=CC(C)(CN(C)C)C(C)C1C
InChIInChI=1S/C13H25N/c1-10-7-8-13(4,9-14(5)6)12(3)11(10)2/h7-8,10-12H,9H2,1-6H3
InChIKeyWALIOZLBIFIRJZ-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.03
Rot. Bonds2

About N,N-dimethyl-1-(1,4,5,6-tetramethylcyclohex-2-en-1-yl)methanamine

N,N-dimethyl-1-(1,4,5,6-tetramethylcyclohex-2-en-1-yl)methanamine (PubChem CID 54420463) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N,N-dimethyl-1-(1,4,5,6-tetramethylcyclohex-2-en-1-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1,4,5,6-tetramethylcyclohex-2-en-1-yl)methanamine
PubChem CID54420463
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN,N-dimethyl-1-(1,4,5,6-tetramethylcyclohex-2-en-1-yl)methanamine
SMILESCC1C=CC(C)(CN(C)C)C(C)C1C
InChIInChI=1S/C13H25N/c1-10-7-8-13(4,9-14(5)6)12(3)11(10)2/h7-8,10-12H,9H2,1-6H3
InChIKeyWALIOZLBIFIRJZ-UHFFFAOYSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
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,N-dimethyl-1-(1,4,5,6-tetramethylcyclohex-2-en-1-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(1,4,5,6-tetramethylcyclohex-2-en-1-yl)methanamine (CID 54420463) is N,N-dimethyl-1-(1,4,5,6-tetramethylcyclohex-2-en-1-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(1,4,5,6-tetramethylcyclohex-2-en-1-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(1,4,5,6-tetramethylcyclohex-2-en-1-yl)methanamine is CC1C=CC(C)(CN(C)C)C(C)C1C.
What is the InChIKey of N,N-dimethyl-1-(1,4,5,6-tetramethylcyclohex-2-en-1-yl)methanamine?
The InChIKey is WALIOZLBIFIRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-10-7-8-13(4,9-14(5)6)12(3)11(10)2/h7-8,10-12H,9H2,1-6H3.
What are the key properties of N,N-dimethyl-1-(1,4,5,6-tetramethylcyclohex-2-en-1-yl)methanamine?
N,N-dimethyl-1-(1,4,5,6-tetramethylcyclohex-2-en-1-yl)methanamine has a molecular weight of 195.35 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1,4,5,6-tetramethylcyclohex-2-en-1-yl)methanamine is sourced from PubChem (CID 54420463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).