2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-N,N-dimethylethanamine

C12H21N — CID 67710765

IUPAC2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1=CCC(C)(C)C=C1
InChIInChI=1S/C12H21N/c1-12(2)8-5-11(6-9-12)7-10-13(3)4/h5-6,8H,7,9-10H2,1-4H3
InChIKeyYOJZYFNZEYODRO-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.85
Rot. Bonds3

About 2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-N,N-dimethylethanamine

2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-N,N-dimethylethanamine (PubChem CID 67710765) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-N,N-dimethylethanamine
PubChem CID67710765
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1=CCC(C)(C)C=C1
InChIInChI=1S/C12H21N/c1-12(2)8-5-11(6-9-12)7-10-13(3)4/h5-6,8H,7,9-10H2,1-4H3
InChIKeyYOJZYFNZEYODRO-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-N,N-dimethylethanamine (CID 67710765) is 2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-N,N-dimethylethanamine is CN(C)CCC1=CCC(C)(C)C=C1.
What is the InChIKey of 2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-N,N-dimethylethanamine?
The InChIKey is YOJZYFNZEYODRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-12(2)8-5-11(6-9-12)7-10-13(3)4/h5-6,8H,7,9-10H2,1-4H3.
What are the key properties of 2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-N,N-dimethylethanamine?
2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-N,N-dimethylethanamine has a molecular weight of 179.31 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 67710765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).