1,2,3-trimethylcyclopent-2-en-1-amine

C8H15N — CID 145499311

IUPAC1,2,3-trimethylcyclopent-2-en-1-amine
SMILESCC1=C(C)C(C)(N)CC1
InChIInChI=1S/C8H15N/c1-6-4-5-8(3,9)7(6)2/h4-5,9H2,1-3H3
InChIKeyGBJLNJNKXJNWIA-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.83
Rot. Bonds

About 1,2,3-trimethylcyclopent-2-en-1-amine

1,2,3-trimethylcyclopent-2-en-1-amine (PubChem CID 145499311) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 1,2,3-trimethylcyclopent-2-en-1-amine.

Molecular Properties

Compound Name1,2,3-trimethylcyclopent-2-en-1-amine
PubChem CID145499311
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name1,2,3-trimethylcyclopent-2-en-1-amine
SMILESCC1=C(C)C(C)(N)CC1
InChIInChI=1S/C8H15N/c1-6-4-5-8(3,9)7(6)2/h4-5,9H2,1-3H3
InChIKeyGBJLNJNKXJNWIA-UHFFFAOYSA-N
XLogP1.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethylcyclopent-2-en-1-amine?
The IUPAC name of 1,2,3-trimethylcyclopent-2-en-1-amine (CID 145499311) is 1,2,3-trimethylcyclopent-2-en-1-amine.
What is the SMILES notation for 1,2,3-trimethylcyclopent-2-en-1-amine?
The canonical SMILES for 1,2,3-trimethylcyclopent-2-en-1-amine is CC1=C(C)C(C)(N)CC1.
What is the InChIKey of 1,2,3-trimethylcyclopent-2-en-1-amine?
The InChIKey is GBJLNJNKXJNWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-6-4-5-8(3,9)7(6)2/h4-5,9H2,1-3H3.
What are the key properties of 1,2,3-trimethylcyclopent-2-en-1-amine?
1,2,3-trimethylcyclopent-2-en-1-amine has a molecular weight of 125.21 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethylcyclopent-2-en-1-amine is sourced from PubChem (CID 145499311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).