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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Related Compounds

(4R)-2,4-diamino-3,4-dimethylcyclohex-2-en-1-one
CID 163668282
3,3-difluoro-1,2-dimethylcyclopentene
CID 134254541
1,4,5,6,7-pentamethyl-2,3-dihydroinden-1-amine
CID 130429507
methane;1,2,4,4-tetramethylcyclohexene
CID 153358945
4-amino-4-methylcyclohexane-1,3-dione
CID 158254784
2,5,6-trimethyl-2-azaspiro[3.4]oct-5-ene
CID 177162837
2,5-dimethylbicyclo[3.1.0]hex-1-ene
CID 91551735
(1Z)-1,2,3,3,6-pentamethylcyclooctene
CID 142284308
(3S)-3-amino-3-methylpiperidine-2,6-dione;hydrobromide
CID 66643102
1,2,3,4-tetramethylbicyclo[2.2.2]oct-2-ene
CID 86052906
2,3,6,6-tetramethyl-1-(trimethylsilylmethyl)cyclohex-2-en-1-ol
CID 59946438
3-tert-butyl-1,2,3-trimethylcyclohexene;ethane
CID 145450127

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).