2-propan-2-ylcyclohepta-1,4,6-trien-1-amine

C10H15N — CID 143743840

IUPAC2-propan-2-ylcyclohepta-1,4,6-trien-1-amine
SMILESCC(C)C1=C(N)C=CC=CC1
InChIInChI=1S/C10H15N/c1-8(2)9-6-4-3-5-7-10(9)11/h3-5,7-8H,6,11H2,1-2H3
InChIKeyQMZSTBRXWSEZLM-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.37
Rot. Bonds1

About 2-propan-2-ylcyclohepta-1,4,6-trien-1-amine

2-propan-2-ylcyclohepta-1,4,6-trien-1-amine (PubChem CID 143743840) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2-propan-2-ylcyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name2-propan-2-ylcyclohepta-1,4,6-trien-1-amine
PubChem CID143743840
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2-propan-2-ylcyclohepta-1,4,6-trien-1-amine
SMILESCC(C)C1=C(N)C=CC=CC1
InChIInChI=1S/C10H15N/c1-8(2)9-6-4-3-5-7-10(9)11/h3-5,7-8H,6,11H2,1-2H3
InChIKeyQMZSTBRXWSEZLM-UHFFFAOYSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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 2-propan-2-ylcyclohepta-1,4,6-trien-1-amine?
The IUPAC name of 2-propan-2-ylcyclohepta-1,4,6-trien-1-amine (CID 143743840) is 2-propan-2-ylcyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for 2-propan-2-ylcyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for 2-propan-2-ylcyclohepta-1,4,6-trien-1-amine is CC(C)C1=C(N)C=CC=CC1.
What is the InChIKey of 2-propan-2-ylcyclohepta-1,4,6-trien-1-amine?
The InChIKey is QMZSTBRXWSEZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-8(2)9-6-4-3-5-7-10(9)11/h3-5,7-8H,6,11H2,1-2H3.
What are the key properties of 2-propan-2-ylcyclohepta-1,4,6-trien-1-amine?
2-propan-2-ylcyclohepta-1,4,6-trien-1-amine has a molecular weight of 149.24 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylcyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 143743840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).