N-ethyl-N-(3-methylbut-2-enyl)azetidin-3-amine

C10H20N2 — CID 66182180

IUPACN-ethyl-N-(3-methylbut-2-enyl)azetidin-3-amine
SMILESCCN(CC=C(C)C)C1CNC1
InChIInChI=1S/C10H20N2/c1-4-12(6-5-9(2)3)10-7-11-8-10/h5,10-11H,4,6-8H2,1-3H3
InChIKeyQDIROKJTRGISSM-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.25
Rot. Bonds4

About N-ethyl-N-(3-methylbut-2-enyl)azetidin-3-amine

N-ethyl-N-(3-methylbut-2-enyl)azetidin-3-amine (PubChem CID 66182180) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-ethyl-N-(3-methylbut-2-enyl)azetidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(3-methylbut-2-enyl)azetidin-3-amine
PubChem CID66182180
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-ethyl-N-(3-methylbut-2-enyl)azetidin-3-amine
SMILESCCN(CC=C(C)C)C1CNC1
InChIInChI=1S/C10H20N2/c1-4-12(6-5-9(2)3)10-7-11-8-10/h5,10-11H,4,6-8H2,1-3H3
InChIKeyQDIROKJTRGISSM-UHFFFAOYSA-N
XLogP1.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.25
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-ethyl-N-(3-methylbut-2-enyl)azetidin-3-amine?
The IUPAC name of N-ethyl-N-(3-methylbut-2-enyl)azetidin-3-amine (CID 66182180) is N-ethyl-N-(3-methylbut-2-enyl)azetidin-3-amine.
What is the SMILES notation for N-ethyl-N-(3-methylbut-2-enyl)azetidin-3-amine?
The canonical SMILES for N-ethyl-N-(3-methylbut-2-enyl)azetidin-3-amine is CCN(CC=C(C)C)C1CNC1.
What is the InChIKey of N-ethyl-N-(3-methylbut-2-enyl)azetidin-3-amine?
The InChIKey is QDIROKJTRGISSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-12(6-5-9(2)3)10-7-11-8-10/h5,10-11H,4,6-8H2,1-3H3.
What are the key properties of N-ethyl-N-(3-methylbut-2-enyl)azetidin-3-amine?
N-ethyl-N-(3-methylbut-2-enyl)azetidin-3-amine has a molecular weight of 168.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylbut-2-enyl)azetidin-3-amine is sourced from PubChem (CID 66182180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).