2-propan-2-yloxycyclohepta-1,3,5-trien-1-amine

C10H15NO — CID 142239948

IUPAC2-propan-2-yloxycyclohepta-1,3,5-trien-1-amine
SMILESCC(C)OC1=C(N)CC=CC=C1
InChIInChI=1S/C10H15NO/c1-8(2)12-10-7-5-3-4-6-9(10)11/h3-5,7-8H,6,11H2,1-2H3
InChIKeyLDOAEEZAWFKQQH-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.10
Rot. Bonds2

About 2-propan-2-yloxycyclohepta-1,3,5-trien-1-amine

2-propan-2-yloxycyclohepta-1,3,5-trien-1-amine (PubChem CID 142239948) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-propan-2-yloxycyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name2-propan-2-yloxycyclohepta-1,3,5-trien-1-amine
PubChem CID142239948
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-propan-2-yloxycyclohepta-1,3,5-trien-1-amine
SMILESCC(C)OC1=C(N)CC=CC=C1
InChIInChI=1S/C10H15NO/c1-8(2)12-10-7-5-3-4-6-9(10)11/h3-5,7-8H,6,11H2,1-2H3
InChIKeyLDOAEEZAWFKQQH-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxycyclohepta-1,3,5-trien-1-amine?
The IUPAC name of 2-propan-2-yloxycyclohepta-1,3,5-trien-1-amine (CID 142239948) is 2-propan-2-yloxycyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for 2-propan-2-yloxycyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for 2-propan-2-yloxycyclohepta-1,3,5-trien-1-amine is CC(C)OC1=C(N)CC=CC=C1.
What is the InChIKey of 2-propan-2-yloxycyclohepta-1,3,5-trien-1-amine?
The InChIKey is LDOAEEZAWFKQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(2)12-10-7-5-3-4-6-9(10)11/h3-5,7-8H,6,11H2,1-2H3.
What are the key properties of 2-propan-2-yloxycyclohepta-1,3,5-trien-1-amine?
2-propan-2-yloxycyclohepta-1,3,5-trien-1-amine has a molecular weight of 165.24 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxycyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 142239948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).