(2-prop-2-enylcyclobutyl)methanamine

C8H15N — CID 81011534

IUPAC(2-prop-2-enylcyclobutyl)methanamine
SMILESC=CCC1CCC1CN
InChIInChI=1S/C8H15N/c1-2-3-7-4-5-8(7)6-9/h2,7-8H,1,3-6,9H2
InChIKeyYTYUATQIWYLZTG-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.55
Rot. Bonds3

About (2-prop-2-enylcyclobutyl)methanamine

(2-prop-2-enylcyclobutyl)methanamine (PubChem CID 81011534) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is (2-prop-2-enylcyclobutyl)methanamine.

Molecular Properties

Compound Name(2-prop-2-enylcyclobutyl)methanamine
PubChem CID81011534
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name(2-prop-2-enylcyclobutyl)methanamine
SMILESC=CCC1CCC1CN
InChIInChI=1S/C8H15N/c1-2-3-7-4-5-8(7)6-9/h2,7-8H,1,3-6,9H2
InChIKeyYTYUATQIWYLZTG-UHFFFAOYSA-N
XLogP1.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2-prop-2-enylcyclobutyl)methanamine?
The IUPAC name of (2-prop-2-enylcyclobutyl)methanamine (CID 81011534) is (2-prop-2-enylcyclobutyl)methanamine.
What is the SMILES notation for (2-prop-2-enylcyclobutyl)methanamine?
The canonical SMILES for (2-prop-2-enylcyclobutyl)methanamine is C=CCC1CCC1CN.
What is the InChIKey of (2-prop-2-enylcyclobutyl)methanamine?
The InChIKey is YTYUATQIWYLZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-3-7-4-5-8(7)6-9/h2,7-8H,1,3-6,9H2.
What are the key properties of (2-prop-2-enylcyclobutyl)methanamine?
(2-prop-2-enylcyclobutyl)methanamine has a molecular weight of 125.22 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-2-enylcyclobutyl)methanamine is sourced from PubChem (CID 81011534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).