1-(3-methylbut-2-enyl)azetidin-3-amine

C8H16N2 — CID 65249544

IUPAC1-(3-methylbut-2-enyl)azetidin-3-amine
SMILESCC(C)=CCN1CC(N)C1
InChIInChI=1S/C8H16N2/c1-7(2)3-4-10-5-8(9)6-10/h3,8H,4-6,9H2,1-2H3
InChIKeyRAFWBDJDSQAEBW-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.60
Rot. Bonds2

About 1-(3-methylbut-2-enyl)azetidin-3-amine

1-(3-methylbut-2-enyl)azetidin-3-amine (PubChem CID 65249544) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)azetidin-3-amine
PubChem CID65249544
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-(3-methylbut-2-enyl)azetidin-3-amine
SMILESCC(C)=CCN1CC(N)C1
InChIInChI=1S/C8H16N2/c1-7(2)3-4-10-5-8(9)6-10/h3,8H,4-6,9H2,1-2H3
InChIKeyRAFWBDJDSQAEBW-UHFFFAOYSA-N
XLogP0.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.60
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 1-(3-methylbut-2-enyl)azetidin-3-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)azetidin-3-amine (CID 65249544) is 1-(3-methylbut-2-enyl)azetidin-3-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)azetidin-3-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)azetidin-3-amine is CC(C)=CCN1CC(N)C1.
What is the InChIKey of 1-(3-methylbut-2-enyl)azetidin-3-amine?
The InChIKey is RAFWBDJDSQAEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-7(2)3-4-10-5-8(9)6-10/h3,8H,4-6,9H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enyl)azetidin-3-amine?
1-(3-methylbut-2-enyl)azetidin-3-amine has a molecular weight of 140.23 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)azetidin-3-amine is sourced from PubChem (CID 65249544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).