2-ethyl-3-methylidenecyclopentan-1-imine

C8H13N — CID 163960541

IUPAC2-ethyl-3-methylidenecyclopentan-1-imine
SMILES[H]/N=C1\CCC(=C)C1CC
InChIInChI=1S/C8H13N/c1-3-7-6(2)4-5-8(7)9/h7,9H,2-5H2,1H3/b9-8+
InChIKeySHAQSXCWRAUVDJ-CMDGGOBGSA-N
MW123.20 g/mol
LogP2.38
Rot. Bonds1

About 2-ethyl-3-methylidenecyclopentan-1-imine

2-ethyl-3-methylidenecyclopentan-1-imine (PubChem CID 163960541) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-ethyl-3-methylidenecyclopentan-1-imine.

Molecular Properties

Compound Name2-ethyl-3-methylidenecyclopentan-1-imine
PubChem CID163960541
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-ethyl-3-methylidenecyclopentan-1-imine
SMILES[H]/N=C1\CCC(=C)C1CC
InChIInChI=1S/C8H13N/c1-3-7-6(2)4-5-8(7)9/h7,9H,2-5H2,1H3/b9-8+
InChIKeySHAQSXCWRAUVDJ-CMDGGOBGSA-N
XLogP2.38
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.38
H-Bond Donors ≤ 51
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

3-(2-Methylprop-2-enyl)-4-propyloctan-2-imine
CID 90894242
3,5-Dimethyl-2-methylidenecyclopentan-1-imine
CID 91175528
2,5-Dimethylhept-1-en-3-imine
CID 91222633
4-Methylhept-6-en-3-imine
CID 123204332
6-Ethyl-4,7-dimethyloct-7-en-2-imine
CID 123222470
3-Methyl-5-methylideneheptan-2-imine
CID 123288208
6-Methyl-7-methylidenecycloundecan-1-imine
CID 123369621
3,3,5,5,6-Pentamethylhept-6-en-2-imine
CID 123379673
4-Methylhept-6-en-2-imine
CID 123395995
1-Cyclopropyl-3-methylbut-3-en-2-imine
CID 123488484
5-Methyl-3-methylidene-4-propan-2-ylocta-5,6,7-trien-2-imine
CID 123641515
4-Ethyl-7-methyloct-7-en-2-imine
CID 123805037

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methylidenecyclopentan-1-imine?
The IUPAC name of 2-ethyl-3-methylidenecyclopentan-1-imine (CID 163960541) is 2-ethyl-3-methylidenecyclopentan-1-imine.
What is the SMILES notation for 2-ethyl-3-methylidenecyclopentan-1-imine?
The canonical SMILES for 2-ethyl-3-methylidenecyclopentan-1-imine is [H]/N=C1\CCC(=C)C1CC.
What is the InChIKey of 2-ethyl-3-methylidenecyclopentan-1-imine?
The InChIKey is SHAQSXCWRAUVDJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H13N/c1-3-7-6(2)4-5-8(7)9/h7,9H,2-5H2,1H3/b9-8+.
What are the key properties of 2-ethyl-3-methylidenecyclopentan-1-imine?
2-ethyl-3-methylidenecyclopentan-1-imine has a molecular weight of 123.20 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methylidenecyclopentan-1-imine is sourced from PubChem (CID 163960541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).