1,4,6-trimethylcyclohexa-2,4-dien-1-amine

C9H15N — CID 68727939

IUPAC1,4,6-trimethylcyclohexa-2,4-dien-1-amine
SMILESCC1=CC(C)C(C)(N)C=C1
InChIInChI=1S/C9H15N/c1-7-4-5-9(3,10)8(2)6-7/h4-6,8H,10H2,1-3H3
InChIKeyMQUUQPKBOFIRRS-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.86
Rot. Bonds

About 1,4,6-trimethylcyclohexa-2,4-dien-1-amine

1,4,6-trimethylcyclohexa-2,4-dien-1-amine (PubChem CID 68727939) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1,4,6-trimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1,4,6-trimethylcyclohexa-2,4-dien-1-amine
PubChem CID68727939
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1,4,6-trimethylcyclohexa-2,4-dien-1-amine
SMILESCC1=CC(C)C(C)(N)C=C1
InChIInChI=1S/C9H15N/c1-7-4-5-9(3,10)8(2)6-7/h4-6,8H,10H2,1-3H3
InChIKeyMQUUQPKBOFIRRS-UHFFFAOYSA-N
XLogP1.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 1,4,6-trimethylcyclohexa-2,4-dien-1-amine (CID 68727939) is 1,4,6-trimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1,4,6-trimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1,4,6-trimethylcyclohexa-2,4-dien-1-amine is CC1=CC(C)C(C)(N)C=C1.
What is the InChIKey of 1,4,6-trimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is MQUUQPKBOFIRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-7-4-5-9(3,10)8(2)6-7/h4-6,8H,10H2,1-3H3.
What are the key properties of 1,4,6-trimethylcyclohexa-2,4-dien-1-amine?
1,4,6-trimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 68727939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).