[1-(2-methylprop-2-enyl)azetidin-3-yl]methanamine

C8H16N2 — CID 137402491

IUPAC[1-(2-methylprop-2-enyl)azetidin-3-yl]methanamine
SMILESC=C(C)CN1CC(CN)C1
InChIInChI=1S/C8H16N2/c1-7(2)4-10-5-8(3-9)6-10/h8H,1,3-6,9H2,2H3
InChIKeyCWAOHRSVWNLTEY-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.45
Rot. Bonds3

About [1-(2-methylprop-2-enyl)azetidin-3-yl]methanamine

[1-(2-methylprop-2-enyl)azetidin-3-yl]methanamine (PubChem CID 137402491) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is [1-(2-methylprop-2-enyl)azetidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methylprop-2-enyl)azetidin-3-yl]methanamine
PubChem CID137402491
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name[1-(2-methylprop-2-enyl)azetidin-3-yl]methanamine
SMILESC=C(C)CN1CC(CN)C1
InChIInChI=1S/C8H16N2/c1-7(2)4-10-5-8(3-9)6-10/h8H,1,3-6,9H2,2H3
InChIKeyCWAOHRSVWNLTEY-UHFFFAOYSA-N
XLogP0.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.45
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-(2-methylprop-2-enyl)azetidin-3-yl]methanamine?
The IUPAC name of [1-(2-methylprop-2-enyl)azetidin-3-yl]methanamine (CID 137402491) is [1-(2-methylprop-2-enyl)azetidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-methylprop-2-enyl)azetidin-3-yl]methanamine?
The canonical SMILES for [1-(2-methylprop-2-enyl)azetidin-3-yl]methanamine is C=C(C)CN1CC(CN)C1.
What is the InChIKey of [1-(2-methylprop-2-enyl)azetidin-3-yl]methanamine?
The InChIKey is CWAOHRSVWNLTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-7(2)4-10-5-8(3-9)6-10/h8H,1,3-6,9H2,2H3.
What are the key properties of [1-(2-methylprop-2-enyl)azetidin-3-yl]methanamine?
[1-(2-methylprop-2-enyl)azetidin-3-yl]methanamine has a molecular weight of 140.23 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylprop-2-enyl)azetidin-3-yl]methanamine is sourced from PubChem (CID 137402491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).