1-methyl-3-(3-methylbut-3-enyl)-3-propylazetidine

C12H23N — CID 167115741

IUPAC1-methyl-3-(3-methylbut-3-enyl)-3-propylazetidine
SMILESC=C(C)CCC1(CCC)CN(C)C1
InChIInChI=1S/C12H23N/c1-5-7-12(8-6-11(2)3)9-13(4)10-12/h2,5-10H2,1,3-4H3
InChIKeyVDTLLSZSIHOYAM-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.07
Rot. Bonds5

About 1-methyl-3-(3-methylbut-3-enyl)-3-propylazetidine

1-methyl-3-(3-methylbut-3-enyl)-3-propylazetidine (PubChem CID 167115741) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-methyl-3-(3-methylbut-3-enyl)-3-propylazetidine.

Molecular Properties

Compound Name1-methyl-3-(3-methylbut-3-enyl)-3-propylazetidine
PubChem CID167115741
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-methyl-3-(3-methylbut-3-enyl)-3-propylazetidine
SMILESC=C(C)CCC1(CCC)CN(C)C1
InChIInChI=1S/C12H23N/c1-5-7-12(8-6-11(2)3)9-13(4)10-12/h2,5-10H2,1,3-4H3
InChIKeyVDTLLSZSIHOYAM-UHFFFAOYSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-3-(3-methylbut-3-enyl)-3-propylazetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methylbut-3-enyl)-3-propylazetidine?
The IUPAC name of 1-methyl-3-(3-methylbut-3-enyl)-3-propylazetidine (CID 167115741) is 1-methyl-3-(3-methylbut-3-enyl)-3-propylazetidine.
What is the SMILES notation for 1-methyl-3-(3-methylbut-3-enyl)-3-propylazetidine?
The canonical SMILES for 1-methyl-3-(3-methylbut-3-enyl)-3-propylazetidine is C=C(C)CCC1(CCC)CN(C)C1.
What is the InChIKey of 1-methyl-3-(3-methylbut-3-enyl)-3-propylazetidine?
The InChIKey is VDTLLSZSIHOYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-5-7-12(8-6-11(2)3)9-13(4)10-12/h2,5-10H2,1,3-4H3.
What are the key properties of 1-methyl-3-(3-methylbut-3-enyl)-3-propylazetidine?
1-methyl-3-(3-methylbut-3-enyl)-3-propylazetidine has a molecular weight of 181.32 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylbut-3-enyl)-3-propylazetidine is sourced from PubChem (CID 167115741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).