N,2,3-trimethylcyclopent-2-en-1-imine

C8H13N — CID 21303746

IUPACN,2,3-trimethylcyclopent-2-en-1-imine
SMILESC/N=C1\CCC(C)=C1C
InChIInChI=1S/C8H13N/c1-6-4-5-8(9-3)7(6)2/h4-5H2,1-3H3/b9-8+
InChIKeyVEJFQIPPCKSHBT-CMDGGOBGSA-N
MW123.20 g/mol
LogP2.19
Rot. Bonds

About N,2,3-trimethylcyclopent-2-en-1-imine

N,2,3-trimethylcyclopent-2-en-1-imine (PubChem CID 21303746) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N,2,3-trimethylcyclopent-2-en-1-imine.

Molecular Properties

Compound NameN,2,3-trimethylcyclopent-2-en-1-imine
PubChem CID21303746
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN,2,3-trimethylcyclopent-2-en-1-imine
SMILESC/N=C1\CCC(C)=C1C
InChIInChI=1S/C8H13N/c1-6-4-5-8(9-3)7(6)2/h4-5H2,1-3H3/b9-8+
InChIKeyVEJFQIPPCKSHBT-CMDGGOBGSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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'}

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Related Compounds

5-Ethyl-4-(propan-2-ylidene)-3,4-dihydro-2H-pyrrole
CID 13272518
5-Methyl-4-(propan-2-ylidene)-3,4-dihydro-2H-pyrrole
CID 15581274
(E)-N,4-diethyl-5-fluorohex-4-en-3-imine
CID 89330768
3,4-difluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123476549
3-methyl-4,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole
CID 20674236
1-[4-(C,N-dimethylcarbonimidoyl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-N-methylethanimine
CID 20681042
4-ethyl-2,5-dimethyl-3H-pyrrole
CID 20765952
N,2,3-trimethylcyclohex-2-en-1-imine
CID 21303745
N,3,4-trimethylpent-3-en-2-imine
CID 54299985
2,3,4-Triethylazete
CID 57185997
4-butyl-3,5-dimethyl-2H-pyrrole
CID 58851243
2-ethyl-4,5-dimethyl-3H-pyrrole
CID 89100809

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethylcyclopent-2-en-1-imine?
The IUPAC name of N,2,3-trimethylcyclopent-2-en-1-imine (CID 21303746) is N,2,3-trimethylcyclopent-2-en-1-imine.
What is the SMILES notation for N,2,3-trimethylcyclopent-2-en-1-imine?
The canonical SMILES for N,2,3-trimethylcyclopent-2-en-1-imine is C/N=C1\CCC(C)=C1C.
What is the InChIKey of N,2,3-trimethylcyclopent-2-en-1-imine?
The InChIKey is VEJFQIPPCKSHBT-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H13N/c1-6-4-5-8(9-3)7(6)2/h4-5H2,1-3H3/b9-8+.
What are the key properties of N,2,3-trimethylcyclopent-2-en-1-imine?
N,2,3-trimethylcyclopent-2-en-1-imine has a molecular weight of 123.20 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethylcyclopent-2-en-1-imine is sourced from PubChem (CID 21303746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).