2,3,4,6-tetramethylcyclohexa-2,4-dien-1-amine

C10H17N — CID 155311440

IUPAC2,3,4,6-tetramethylcyclohexa-2,4-dien-1-amine
SMILESCC1=CC(C)C(N)C(C)=C1C
InChIInChI=1S/C10H17N/c1-6-5-7(2)10(11)9(4)8(6)3/h5,7,10H,11H2,1-4H3
InChIKeyPHLBPMZURAJMIP-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.25
Rot. Bonds

About 2,3,4,6-tetramethylcyclohexa-2,4-dien-1-amine

2,3,4,6-tetramethylcyclohexa-2,4-dien-1-amine (PubChem CID 155311440) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2,3,4,6-tetramethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2,3,4,6-tetramethylcyclohexa-2,4-dien-1-amine
PubChem CID155311440
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2,3,4,6-tetramethylcyclohexa-2,4-dien-1-amine
SMILESCC1=CC(C)C(N)C(C)=C1C
InChIInChI=1S/C10H17N/c1-6-5-7(2)10(11)9(4)8(6)3/h5,7,10H,11H2,1-4H3
InChIKeyPHLBPMZURAJMIP-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetramethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 2,3,4,6-tetramethylcyclohexa-2,4-dien-1-amine (CID 155311440) is 2,3,4,6-tetramethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2,3,4,6-tetramethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2,3,4,6-tetramethylcyclohexa-2,4-dien-1-amine is CC1=CC(C)C(N)C(C)=C1C.
What is the InChIKey of 2,3,4,6-tetramethylcyclohexa-2,4-dien-1-amine?
The InChIKey is PHLBPMZURAJMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-6-5-7(2)10(11)9(4)8(6)3/h5,7,10H,11H2,1-4H3.
What are the key properties of 2,3,4,6-tetramethylcyclohexa-2,4-dien-1-amine?
2,3,4,6-tetramethylcyclohexa-2,4-dien-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetramethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 155311440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).