N-(2,3-dimethylcyclopent-2-en-1-yl)methanimine

C8H13N — CID 159276152

IUPACN-(2,3-dimethylcyclopent-2-en-1-yl)methanimine
SMILESC=NC1CCC(C)=C1C
InChIInChI=1S/C8H13N/c1-6-4-5-8(9-3)7(6)2/h8H,3-5H2,1-2H3
InChIKeyKYIIMZXGJSPGDU-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.19
Rot. Bonds1

About N-(2,3-dimethylcyclopent-2-en-1-yl)methanimine

N-(2,3-dimethylcyclopent-2-en-1-yl)methanimine (PubChem CID 159276152) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopent-2-en-1-yl)methanimine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopent-2-en-1-yl)methanimine
PubChem CID159276152
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-(2,3-dimethylcyclopent-2-en-1-yl)methanimine
SMILESC=NC1CCC(C)=C1C
InChIInChI=1S/C8H13N/c1-6-4-5-8(9-3)7(6)2/h8H,3-5H2,1-2H3
InChIKeyKYIIMZXGJSPGDU-UHFFFAOYSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(6,7-dimethyloct-6-en-2-yl)methanimine
CID 132050909
N-(6,7-dimethyloct-6-en-3-yl)methanimine;ethane
CID 141943577
N-(2-methyl-3-propylcyclohex-2-en-1-yl)methanimine
CID 163612557
N-(7-methyl-3-methylideneoct-6-en-2-yl)methanimine
CID 174318126
N-(6,7-dimethyloct-6-en-3-yl)methanimine
CID 141943578

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopent-2-en-1-yl)methanimine?
The IUPAC name of N-(2,3-dimethylcyclopent-2-en-1-yl)methanimine (CID 159276152) is N-(2,3-dimethylcyclopent-2-en-1-yl)methanimine.
What is the SMILES notation for N-(2,3-dimethylcyclopent-2-en-1-yl)methanimine?
The canonical SMILES for N-(2,3-dimethylcyclopent-2-en-1-yl)methanimine is C=NC1CCC(C)=C1C.
What is the InChIKey of N-(2,3-dimethylcyclopent-2-en-1-yl)methanimine?
The InChIKey is KYIIMZXGJSPGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6-4-5-8(9-3)7(6)2/h8H,3-5H2,1-2H3.
What are the key properties of N-(2,3-dimethylcyclopent-2-en-1-yl)methanimine?
N-(2,3-dimethylcyclopent-2-en-1-yl)methanimine has a molecular weight of 123.20 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopent-2-en-1-yl)methanimine is sourced from PubChem (CID 159276152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).