3,4-dimethyl-3-(2-methylcyclobutyl)pent-4-en-1-imine

C12H21N — CID 154937337

IUPAC3,4-dimethyl-3-(2-methylcyclobutyl)pent-4-en-1-imine
SMILES[H]/N=C/CC(C)(C(=C)C)C1CCC1C
InChIInChI=1S/C12H21N/c1-9(2)12(4,7-8-13)11-6-5-10(11)3/h8,10-11,13H,1,5-7H2,2-4H3/b13-8+
InChIKeyLULAJPBQIFLHSV-MDWZMJQESA-N
MW179.31 g/mol
LogP3.65
Rot. Bonds4

About 3,4-dimethyl-3-(2-methylcyclobutyl)pent-4-en-1-imine

3,4-dimethyl-3-(2-methylcyclobutyl)pent-4-en-1-imine (PubChem CID 154937337) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3,4-dimethyl-3-(2-methylcyclobutyl)pent-4-en-1-imine.

Molecular Properties

Compound Name3,4-dimethyl-3-(2-methylcyclobutyl)pent-4-en-1-imine
PubChem CID154937337
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3,4-dimethyl-3-(2-methylcyclobutyl)pent-4-en-1-imine
SMILES[H]/N=C/CC(C)(C(=C)C)C1CCC1C
InChIInChI=1S/C12H21N/c1-9(2)12(4,7-8-13)11-6-5-10(11)3/h8,10-11,13H,1,5-7H2,2-4H3/b13-8+
InChIKeyLULAJPBQIFLHSV-MDWZMJQESA-N
XLogP3.65
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.65
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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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-3-(2-methylcyclobutyl)pent-4-en-1-imine?
The IUPAC name of 3,4-dimethyl-3-(2-methylcyclobutyl)pent-4-en-1-imine (CID 154937337) is 3,4-dimethyl-3-(2-methylcyclobutyl)pent-4-en-1-imine.
What is the SMILES notation for 3,4-dimethyl-3-(2-methylcyclobutyl)pent-4-en-1-imine?
The canonical SMILES for 3,4-dimethyl-3-(2-methylcyclobutyl)pent-4-en-1-imine is [H]/N=C/CC(C)(C(=C)C)C1CCC1C.
What is the InChIKey of 3,4-dimethyl-3-(2-methylcyclobutyl)pent-4-en-1-imine?
The InChIKey is LULAJPBQIFLHSV-MDWZMJQESA-N. The full InChI is InChI=1S/C12H21N/c1-9(2)12(4,7-8-13)11-6-5-10(11)3/h8,10-11,13H,1,5-7H2,2-4H3/b13-8+.
What are the key properties of 3,4-dimethyl-3-(2-methylcyclobutyl)pent-4-en-1-imine?
3,4-dimethyl-3-(2-methylcyclobutyl)pent-4-en-1-imine has a molecular weight of 179.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-3-(2-methylcyclobutyl)pent-4-en-1-imine is sourced from PubChem (CID 154937337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).