2-methylcycloocta-1,3,5-trien-1-amine

C9H13N — CID 67050786

IUPAC2-methylcycloocta-1,3,5-trien-1-amine
SMILESCC1=C(N)CCC=CC=C1
InChIInChI=1S/C9H13N/c1-8-6-4-2-3-5-7-9(8)10/h2-4,6H,5,7,10H2,1H3
InChIKeyQAPFBFHKWFMALA-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.13
Rot. Bonds

About 2-methylcycloocta-1,3,5-trien-1-amine

2-methylcycloocta-1,3,5-trien-1-amine (PubChem CID 67050786) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 2-methylcycloocta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name2-methylcycloocta-1,3,5-trien-1-amine
PubChem CID67050786
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name2-methylcycloocta-1,3,5-trien-1-amine
SMILESCC1=C(N)CCC=CC=C1
InChIInChI=1S/C9H13N/c1-8-6-4-2-3-5-7-9(8)10/h2-4,6H,5,7,10H2,1H3
InChIKeyQAPFBFHKWFMALA-UHFFFAOYSA-N
XLogP2.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylcycloocta-1,3,5-trien-1-amine?
The IUPAC name of 2-methylcycloocta-1,3,5-trien-1-amine (CID 67050786) is 2-methylcycloocta-1,3,5-trien-1-amine.
What is the SMILES notation for 2-methylcycloocta-1,3,5-trien-1-amine?
The canonical SMILES for 2-methylcycloocta-1,3,5-trien-1-amine is CC1=C(N)CCC=CC=C1.
What is the InChIKey of 2-methylcycloocta-1,3,5-trien-1-amine?
The InChIKey is QAPFBFHKWFMALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-8-6-4-2-3-5-7-9(8)10/h2-4,6H,5,7,10H2,1H3.
What are the key properties of 2-methylcycloocta-1,3,5-trien-1-amine?
2-methylcycloocta-1,3,5-trien-1-amine has a molecular weight of 135.21 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylcycloocta-1,3,5-trien-1-amine is sourced from PubChem (CID 67050786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).