3,3,5-trimethylcyclohepta-1,4,6-trien-1-amine

C10H15N — CID 126675983

IUPAC3,3,5-trimethylcyclohepta-1,4,6-trien-1-amine
SMILESCC1=CC(C)(C)C=C(N)C=C1
InChIInChI=1S/C10H15N/c1-8-4-5-9(11)7-10(2,3)6-8/h4-7H,11H2,1-3H3
InChIKeySJXLXKTUUORCRR-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.37
Rot. Bonds

About 3,3,5-trimethylcyclohepta-1,4,6-trien-1-amine

3,3,5-trimethylcyclohepta-1,4,6-trien-1-amine (PubChem CID 126675983) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3,3,5-trimethylcyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name3,3,5-trimethylcyclohepta-1,4,6-trien-1-amine
PubChem CID126675983
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3,3,5-trimethylcyclohepta-1,4,6-trien-1-amine
SMILESCC1=CC(C)(C)C=C(N)C=C1
InChIInChI=1S/C10H15N/c1-8-4-5-9(11)7-10(2,3)6-8/h4-7H,11H2,1-3H3
InChIKeySJXLXKTUUORCRR-UHFFFAOYSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethylcyclohepta-1,4,6-trien-1-amine?
The IUPAC name of 3,3,5-trimethylcyclohepta-1,4,6-trien-1-amine (CID 126675983) is 3,3,5-trimethylcyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for 3,3,5-trimethylcyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for 3,3,5-trimethylcyclohepta-1,4,6-trien-1-amine is CC1=CC(C)(C)C=C(N)C=C1.
What is the InChIKey of 3,3,5-trimethylcyclohepta-1,4,6-trien-1-amine?
The InChIKey is SJXLXKTUUORCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-8-4-5-9(11)7-10(2,3)6-8/h4-7H,11H2,1-3H3.
What are the key properties of 3,3,5-trimethylcyclohepta-1,4,6-trien-1-amine?
3,3,5-trimethylcyclohepta-1,4,6-trien-1-amine has a molecular weight of 149.24 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethylcyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 126675983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).