1-(2-methylpropyl)-2-prop-1-en-2-ylazetidine

C10H19N — CID 155036700

IUPAC1-(2-methylpropyl)-2-prop-1-en-2-ylazetidine
SMILESC=C(C)C1CCN1CC(C)C
InChIInChI=1S/C10H19N/c1-8(2)7-11-6-5-10(11)9(3)4/h8,10H,3,5-7H2,1-2,4H3
InChIKeyMYAGGMKEOHVGLL-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.29
Rot. Bonds3

About 1-(2-methylpropyl)-2-prop-1-en-2-ylazetidine

1-(2-methylpropyl)-2-prop-1-en-2-ylazetidine (PubChem CID 155036700) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-prop-1-en-2-ylazetidine.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-prop-1-en-2-ylazetidine
PubChem CID155036700
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1-(2-methylpropyl)-2-prop-1-en-2-ylazetidine
SMILESC=C(C)C1CCN1CC(C)C
InChIInChI=1S/C10H19N/c1-8(2)7-11-6-5-10(11)9(3)4/h8,10H,3,5-7H2,1-2,4H3
InChIKeyMYAGGMKEOHVGLL-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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Related Compounds

1-(2-methylpropyl)azetidine-2-carboxylic acid
CID 22132132
(2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane
CID 160932725
4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid
CID 114430632
(1S,5R)-2-(2-methylpropyl)-2-azabicyclo[3.1.0]hexane
CID 167420955
4-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperidine
CID 126612510
2-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 79370819
1-propan-2-yl-2-prop-1-en-2-ylpyrrolidine
CID 67564463
(2S)-N-cyclopropyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 174909490
(2S)-4-fluoro-2-methyl-1-(2-methylpropyl)piperidine
CID 171752860
2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane
CID 129193409
2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid
CID 106745002
1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one
CID 79537849

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-prop-1-en-2-ylazetidine?
The IUPAC name of 1-(2-methylpropyl)-2-prop-1-en-2-ylazetidine (CID 155036700) is 1-(2-methylpropyl)-2-prop-1-en-2-ylazetidine.
What is the SMILES notation for 1-(2-methylpropyl)-2-prop-1-en-2-ylazetidine?
The canonical SMILES for 1-(2-methylpropyl)-2-prop-1-en-2-ylazetidine is C=C(C)C1CCN1CC(C)C.
What is the InChIKey of 1-(2-methylpropyl)-2-prop-1-en-2-ylazetidine?
The InChIKey is MYAGGMKEOHVGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-8(2)7-11-6-5-10(11)9(3)4/h8,10H,3,5-7H2,1-2,4H3.
What are the key properties of 1-(2-methylpropyl)-2-prop-1-en-2-ylazetidine?
1-(2-methylpropyl)-2-prop-1-en-2-ylazetidine 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 1-(2-methylpropyl)-2-prop-1-en-2-ylazetidine is sourced from PubChem (CID 155036700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).