2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine

C12H21N — CID 70666053

IUPAC2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine
SMILESCC(C)C1=CCCC(C(C)C)=C1N
InChIInChI=1S/C12H21N/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h6,8-9H,5,7,13H2,1-4H3
InChIKeyVZPAZWFJUWCGNK-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.23
Rot. Bonds2

About 2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine

2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine (PubChem CID 70666053) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine
PubChem CID70666053
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine
SMILESCC(C)C1=CCCC(C(C)C)=C1N
InChIInChI=1S/C12H21N/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h6,8-9H,5,7,13H2,1-4H3
InChIKeyVZPAZWFJUWCGNK-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of 2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine (CID 70666053) is 2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine is CC(C)C1=CCCC(C(C)C)=C1N.
What is the InChIKey of 2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine?
The InChIKey is VZPAZWFJUWCGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h6,8-9H,5,7,13H2,1-4H3.
What are the key properties of 2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine?
2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine has a molecular weight of 179.31 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 70666053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).