(1-prop-2-enylazetidin-3-yl)methanamine

C7H14N2 — CID 130834851

IUPAC(1-prop-2-enylazetidin-3-yl)methanamine
SMILESC=CCN1CC(CN)C1
InChIInChI=1S/C7H14N2/c1-2-3-9-5-7(4-8)6-9/h2,7H,1,3-6,8H2
InChIKeyIJVQBJPTYIJTOQ-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.06
Rot. Bonds3

About (1-prop-2-enylazetidin-3-yl)methanamine

(1-prop-2-enylazetidin-3-yl)methanamine (PubChem CID 130834851) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (1-prop-2-enylazetidin-3-yl)methanamine.

Molecular Properties

Compound Name(1-prop-2-enylazetidin-3-yl)methanamine
PubChem CID130834851
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(1-prop-2-enylazetidin-3-yl)methanamine
SMILESC=CCN1CC(CN)C1
InChIInChI=1S/C7H14N2/c1-2-3-9-5-7(4-8)6-9/h2,7H,1,3-6,8H2
InChIKeyIJVQBJPTYIJTOQ-UHFFFAOYSA-N
XLogP0.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.06
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-prop-2-enylazetidin-3-yl)methanamine?
The IUPAC name of (1-prop-2-enylazetidin-3-yl)methanamine (CID 130834851) is (1-prop-2-enylazetidin-3-yl)methanamine.
What is the SMILES notation for (1-prop-2-enylazetidin-3-yl)methanamine?
The canonical SMILES for (1-prop-2-enylazetidin-3-yl)methanamine is C=CCN1CC(CN)C1.
What is the InChIKey of (1-prop-2-enylazetidin-3-yl)methanamine?
The InChIKey is IJVQBJPTYIJTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-2-3-9-5-7(4-8)6-9/h2,7H,1,3-6,8H2.
What are the key properties of (1-prop-2-enylazetidin-3-yl)methanamine?
(1-prop-2-enylazetidin-3-yl)methanamine has a molecular weight of 126.20 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-prop-2-enylazetidin-3-yl)methanamine is sourced from PubChem (CID 130834851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).