3-ethyl-4-methylpent-4-en-2-imine

C8H15N — CID 163849932

IUPAC3-ethyl-4-methylpent-4-en-2-imine
SMILES[H]/N=C(\C)C(CC)C(=C)C
InChIInChI=1S/C8H15N/c1-5-8(6(2)3)7(4)9/h8-9H,2,5H2,1,3-4H3/b9-7+
InChIKeyOTMNPSOGNYVDRM-VQHVLOKHSA-N
MW125.21 g/mol
LogP2.63
Rot. Bonds3

About 3-ethyl-4-methylpent-4-en-2-imine

3-ethyl-4-methylpent-4-en-2-imine (PubChem CID 163849932) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 3-ethyl-4-methylpent-4-en-2-imine.

Molecular Properties

Compound Name3-ethyl-4-methylpent-4-en-2-imine
PubChem CID163849932
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name3-ethyl-4-methylpent-4-en-2-imine
SMILES[H]/N=C(\C)C(CC)C(=C)C
InChIInChI=1S/C8H15N/c1-5-8(6(2)3)7(4)9/h8-9H,2,5H2,1,3-4H3/b9-7+
InChIKeyOTMNPSOGNYVDRM-VQHVLOKHSA-N
XLogP2.63
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.63
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

1-Fluoro-3,4-dimethylpent-4-en-2-imine
CID 88972557
4-Methylpent-4-en-2-imine
CID 18713791
2,4-Dimethylpent-1-en-3-imine
CID 91148130
3,5-Dimethyl-2-methylidenecyclopentan-1-imine
CID 91175528
2,5-Dimethylhept-1-en-3-imine
CID 91222633
5-Methylhex-5-en-2-imine
CID 91223574
(E)-3,6-dimethylnon-5-en-4-imine
CID 123151672
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
4-Methylhept-6-en-2-imine
CID 123395995

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methylpent-4-en-2-imine?
The IUPAC name of 3-ethyl-4-methylpent-4-en-2-imine (CID 163849932) is 3-ethyl-4-methylpent-4-en-2-imine.
What is the SMILES notation for 3-ethyl-4-methylpent-4-en-2-imine?
The canonical SMILES for 3-ethyl-4-methylpent-4-en-2-imine is [H]/N=C(\C)C(CC)C(=C)C.
What is the InChIKey of 3-ethyl-4-methylpent-4-en-2-imine?
The InChIKey is OTMNPSOGNYVDRM-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15N/c1-5-8(6(2)3)7(4)9/h8-9H,2,5H2,1,3-4H3/b9-7+.
What are the key properties of 3-ethyl-4-methylpent-4-en-2-imine?
3-ethyl-4-methylpent-4-en-2-imine has a molecular weight of 125.21 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methylpent-4-en-2-imine is sourced from PubChem (CID 163849932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).