3-(2-methylpropylidene)-1-propylazetidine

C10H19N — CID 149438753

IUPAC3-(2-methylpropylidene)-1-propylazetidine
SMILESCCCN1CC(=CC(C)C)C1
InChIInChI=1S/C10H19N/c1-4-5-11-7-10(8-11)6-9(2)3/h6,9H,4-5,7-8H2,1-3H3
InChIKeyYVIDPBWHLNKDMC-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.29
Rot. Bonds3

About 3-(2-methylpropylidene)-1-propylazetidine

3-(2-methylpropylidene)-1-propylazetidine (PubChem CID 149438753) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3-(2-methylpropylidene)-1-propylazetidine.

Molecular Properties

Compound Name3-(2-methylpropylidene)-1-propylazetidine
PubChem CID149438753
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3-(2-methylpropylidene)-1-propylazetidine
SMILESCCCN1CC(=CC(C)C)C1
InChIInChI=1S/C10H19N/c1-4-5-11-7-10(8-11)6-9(2)3/h6,9H,4-5,7-8H2,1-3H3
InChIKeyYVIDPBWHLNKDMC-UHFFFAOYSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.29
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-(2-methylpropylidene)-1-propylazetidine?
The IUPAC name of 3-(2-methylpropylidene)-1-propylazetidine (CID 149438753) is 3-(2-methylpropylidene)-1-propylazetidine.
What is the SMILES notation for 3-(2-methylpropylidene)-1-propylazetidine?
The canonical SMILES for 3-(2-methylpropylidene)-1-propylazetidine is CCCN1CC(=CC(C)C)C1.
What is the InChIKey of 3-(2-methylpropylidene)-1-propylazetidine?
The InChIKey is YVIDPBWHLNKDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-4-5-11-7-10(8-11)6-9(2)3/h6,9H,4-5,7-8H2,1-3H3.
What are the key properties of 3-(2-methylpropylidene)-1-propylazetidine?
3-(2-methylpropylidene)-1-propylazetidine has a molecular weight of 153.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylidene)-1-propylazetidine is sourced from PubChem (CID 149438753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).