N-(3-methylbut-2-enyl)-N-propylazetidin-3-amine

C11H22N2 — CID 66214313

IUPACN-(3-methylbut-2-enyl)-N-propylazetidin-3-amine
SMILESCCCN(CC=C(C)C)C1CNC1
InChIInChI=1S/C11H22N2/c1-4-6-13(7-5-10(2)3)11-8-12-9-11/h5,11-12H,4,6-9H2,1-3H3
InChIKeyUINCPTHPMQAPIY-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.64
Rot. Bonds5

About N-(3-methylbut-2-enyl)-N-propylazetidin-3-amine

N-(3-methylbut-2-enyl)-N-propylazetidin-3-amine (PubChem CID 66214313) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)-N-propylazetidin-3-amine.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)-N-propylazetidin-3-amine
PubChem CID66214313
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-(3-methylbut-2-enyl)-N-propylazetidin-3-amine
SMILESCCCN(CC=C(C)C)C1CNC1
InChIInChI=1S/C11H22N2/c1-4-6-13(7-5-10(2)3)11-8-12-9-11/h5,11-12H,4,6-9H2,1-3H3
InChIKeyUINCPTHPMQAPIY-UHFFFAOYSA-N
XLogP1.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(3-methylbut-2-enyl)-N-propylazetidin-3-amine?
The IUPAC name of N-(3-methylbut-2-enyl)-N-propylazetidin-3-amine (CID 66214313) is N-(3-methylbut-2-enyl)-N-propylazetidin-3-amine.
What is the SMILES notation for N-(3-methylbut-2-enyl)-N-propylazetidin-3-amine?
The canonical SMILES for N-(3-methylbut-2-enyl)-N-propylazetidin-3-amine is CCCN(CC=C(C)C)C1CNC1.
What is the InChIKey of N-(3-methylbut-2-enyl)-N-propylazetidin-3-amine?
The InChIKey is UINCPTHPMQAPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-6-13(7-5-10(2)3)11-8-12-9-11/h5,11-12H,4,6-9H2,1-3H3.
What are the key properties of N-(3-methylbut-2-enyl)-N-propylazetidin-3-amine?
N-(3-methylbut-2-enyl)-N-propylazetidin-3-amine has a molecular weight of 182.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)-N-propylazetidin-3-amine is sourced from PubChem (CID 66214313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).