3-(3-methylbutylidene)-1-propylazetidine

C11H21N — CID 142624988

IUPAC3-(3-methylbutylidene)-1-propylazetidine
SMILESCCCN1CC(=CCC(C)C)C1
InChIInChI=1S/C11H21N/c1-4-7-12-8-11(9-12)6-5-10(2)3/h6,10H,4-5,7-9H2,1-3H3
InChIKeyOJKSSVHJPRAXFQ-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.68
Rot. Bonds4

About 3-(3-methylbutylidene)-1-propylazetidine

3-(3-methylbutylidene)-1-propylazetidine (PubChem CID 142624988) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-(3-methylbutylidene)-1-propylazetidine.

Molecular Properties

Compound Name3-(3-methylbutylidene)-1-propylazetidine
PubChem CID142624988
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-(3-methylbutylidene)-1-propylazetidine
SMILESCCCN1CC(=CCC(C)C)C1
InChIInChI=1S/C11H21N/c1-4-7-12-8-11(9-12)6-5-10(2)3/h6,10H,4-5,7-9H2,1-3H3
InChIKeyOJKSSVHJPRAXFQ-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutylidene)-1-propylazetidine?
The IUPAC name of 3-(3-methylbutylidene)-1-propylazetidine (CID 142624988) is 3-(3-methylbutylidene)-1-propylazetidine.
What is the SMILES notation for 3-(3-methylbutylidene)-1-propylazetidine?
The canonical SMILES for 3-(3-methylbutylidene)-1-propylazetidine is CCCN1CC(=CCC(C)C)C1.
What is the InChIKey of 3-(3-methylbutylidene)-1-propylazetidine?
The InChIKey is OJKSSVHJPRAXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-7-12-8-11(9-12)6-5-10(2)3/h6,10H,4-5,7-9H2,1-3H3.
What are the key properties of 3-(3-methylbutylidene)-1-propylazetidine?
3-(3-methylbutylidene)-1-propylazetidine has a molecular weight of 167.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutylidene)-1-propylazetidine is sourced from PubChem (CID 142624988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).