3,5,5,6-tetramethylcyclohexa-1,3-dien-1-amine

C10H17N — CID 70257503

IUPAC3,5,5,6-tetramethylcyclohexa-1,3-dien-1-amine
SMILESCC1=CC(C)(C)C(C)C(N)=C1
InChIInChI=1S/C10H17N/c1-7-5-9(11)8(2)10(3,4)6-7/h5-6,8H,11H2,1-4H3
InChIKeyCCXSEHNCZASJHL-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.45
Rot. Bonds

About 3,5,5,6-tetramethylcyclohexa-1,3-dien-1-amine

3,5,5,6-tetramethylcyclohexa-1,3-dien-1-amine (PubChem CID 70257503) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3,5,5,6-tetramethylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name3,5,5,6-tetramethylcyclohexa-1,3-dien-1-amine
PubChem CID70257503
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3,5,5,6-tetramethylcyclohexa-1,3-dien-1-amine
SMILESCC1=CC(C)(C)C(C)C(N)=C1
InChIInChI=1S/C10H17N/c1-7-5-9(11)8(2)10(3,4)6-7/h5-6,8H,11H2,1-4H3
InChIKeyCCXSEHNCZASJHL-UHFFFAOYSA-N
XLogP2.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5,5,6-tetramethylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 3,5,5,6-tetramethylcyclohexa-1,3-dien-1-amine (CID 70257503) is 3,5,5,6-tetramethylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 3,5,5,6-tetramethylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 3,5,5,6-tetramethylcyclohexa-1,3-dien-1-amine is CC1=CC(C)(C)C(C)C(N)=C1.
What is the InChIKey of 3,5,5,6-tetramethylcyclohexa-1,3-dien-1-amine?
The InChIKey is CCXSEHNCZASJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-7-5-9(11)8(2)10(3,4)6-7/h5-6,8H,11H2,1-4H3.
What are the key properties of 3,5,5,6-tetramethylcyclohexa-1,3-dien-1-amine?
3,5,5,6-tetramethylcyclohexa-1,3-dien-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5,6-tetramethylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 70257503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).