2,3,4,5,6,6-hexamethylcyclohexa-1,3-dien-1-amine

C12H21N — CID 155197259

IUPAC2,3,4,5,6,6-hexamethylcyclohexa-1,3-dien-1-amine
SMILESCC1=C(C)C(C)C(C)(C)C(N)=C1C
InChIInChI=1S/C12H21N/c1-7-8(2)10(4)12(5,6)11(13)9(7)3/h10H,13H2,1-6H3
InChIKeyCZRYJWNYWQZFJF-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.23
Rot. Bonds

About 2,3,4,5,6,6-hexamethylcyclohexa-1,3-dien-1-amine

2,3,4,5,6,6-hexamethylcyclohexa-1,3-dien-1-amine (PubChem CID 155197259) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2,3,4,5,6,6-hexamethylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name2,3,4,5,6,6-hexamethylcyclohexa-1,3-dien-1-amine
PubChem CID155197259
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2,3,4,5,6,6-hexamethylcyclohexa-1,3-dien-1-amine
SMILESCC1=C(C)C(C)C(C)(C)C(N)=C1C
InChIInChI=1S/C12H21N/c1-7-8(2)10(4)12(5,6)11(13)9(7)3/h10H,13H2,1-6H3
InChIKeyCZRYJWNYWQZFJF-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,6-hexamethylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 2,3,4,5,6,6-hexamethylcyclohexa-1,3-dien-1-amine (CID 155197259) is 2,3,4,5,6,6-hexamethylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 2,3,4,5,6,6-hexamethylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 2,3,4,5,6,6-hexamethylcyclohexa-1,3-dien-1-amine is CC1=C(C)C(C)C(C)(C)C(N)=C1C.
What is the InChIKey of 2,3,4,5,6,6-hexamethylcyclohexa-1,3-dien-1-amine?
The InChIKey is CZRYJWNYWQZFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-7-8(2)10(4)12(5,6)11(13)9(7)3/h10H,13H2,1-6H3.
What are the key properties of 2,3,4,5,6,6-hexamethylcyclohexa-1,3-dien-1-amine?
2,3,4,5,6,6-hexamethylcyclohexa-1,3-dien-1-amine has a molecular weight of 179.31 g/mol, XLogP of 3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,6-hexamethylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 155197259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).