(Z)-3-(2,4-dimethylcyclobutyl)-N-methylbut-2-en-1-imine

C11H19N — CID 89029589

IUPAC(Z)-3-(2,4-dimethylcyclobutyl)-N-methylbut-2-en-1-imine
SMILESC/N=C/C=C(/C)C1C(C)CC1C
InChIInChI=1S/C11H19N/c1-8(5-6-12-4)11-9(2)7-10(11)3/h5-6,9-11H,7H2,1-4H3/b8-5-,12-6+
InChIKeySNWBUOZIZLXKMS-JFZKZVACSA-N
MW165.28 g/mol
LogP2.93
Rot. Bonds2

About (Z)-3-(2,4-dimethylcyclobutyl)-N-methylbut-2-en-1-imine

(Z)-3-(2,4-dimethylcyclobutyl)-N-methylbut-2-en-1-imine (PubChem CID 89029589) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (Z)-3-(2,4-dimethylcyclobutyl)-N-methylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-3-(2,4-dimethylcyclobutyl)-N-methylbut-2-en-1-imine
PubChem CID89029589
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(Z)-3-(2,4-dimethylcyclobutyl)-N-methylbut-2-en-1-imine
SMILESC/N=C/C=C(/C)C1C(C)CC1C
InChIInChI=1S/C11H19N/c1-8(5-6-12-4)11-9(2)7-10(11)3/h5-6,9-11H,7H2,1-4H3/b8-5-,12-6+
InChIKeySNWBUOZIZLXKMS-JFZKZVACSA-N
XLogP2.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,4-dimethylcyclobutyl)-N-methylbut-2-en-1-imine?
The IUPAC name of (Z)-3-(2,4-dimethylcyclobutyl)-N-methylbut-2-en-1-imine (CID 89029589) is (Z)-3-(2,4-dimethylcyclobutyl)-N-methylbut-2-en-1-imine.
What is the SMILES notation for (Z)-3-(2,4-dimethylcyclobutyl)-N-methylbut-2-en-1-imine?
The canonical SMILES for (Z)-3-(2,4-dimethylcyclobutyl)-N-methylbut-2-en-1-imine is C/N=C/C=C(/C)C1C(C)CC1C.
What is the InChIKey of (Z)-3-(2,4-dimethylcyclobutyl)-N-methylbut-2-en-1-imine?
The InChIKey is SNWBUOZIZLXKMS-JFZKZVACSA-N. The full InChI is InChI=1S/C11H19N/c1-8(5-6-12-4)11-9(2)7-10(11)3/h5-6,9-11H,7H2,1-4H3/b8-5-,12-6+.
What are the key properties of (Z)-3-(2,4-dimethylcyclobutyl)-N-methylbut-2-en-1-imine?
(Z)-3-(2,4-dimethylcyclobutyl)-N-methylbut-2-en-1-imine has a molecular weight of 165.28 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,4-dimethylcyclobutyl)-N-methylbut-2-en-1-imine is sourced from PubChem (CID 89029589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).