[1-(2-methylprop-2-enyl)cyclobutyl]methanamine

C9H17N — CID 130514783

IUPAC[1-(2-methylprop-2-enyl)cyclobutyl]methanamine
SMILESC=C(C)CC1(CN)CCC1
InChIInChI=1S/C9H17N/c1-8(2)6-9(7-10)4-3-5-9/h1,3-7,10H2,2H3
InChIKeyOXPQDHYDPOLIBA-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.08
Rot. Bonds3

About [1-(2-methylprop-2-enyl)cyclobutyl]methanamine

[1-(2-methylprop-2-enyl)cyclobutyl]methanamine (PubChem CID 130514783) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is [1-(2-methylprop-2-enyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2-methylprop-2-enyl)cyclobutyl]methanamine
PubChem CID130514783
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name[1-(2-methylprop-2-enyl)cyclobutyl]methanamine
SMILESC=C(C)CC1(CN)CCC1
InChIInChI=1S/C9H17N/c1-8(2)6-9(7-10)4-3-5-9/h1,3-7,10H2,2H3
InChIKeyOXPQDHYDPOLIBA-UHFFFAOYSA-N
XLogP2.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.08
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 [1-(2-methylprop-2-enyl)cyclobutyl]methanamine?
The IUPAC name of [1-(2-methylprop-2-enyl)cyclobutyl]methanamine (CID 130514783) is [1-(2-methylprop-2-enyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2-methylprop-2-enyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2-methylprop-2-enyl)cyclobutyl]methanamine is C=C(C)CC1(CN)CCC1.
What is the InChIKey of [1-(2-methylprop-2-enyl)cyclobutyl]methanamine?
The InChIKey is OXPQDHYDPOLIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-8(2)6-9(7-10)4-3-5-9/h1,3-7,10H2,2H3.
What are the key properties of [1-(2-methylprop-2-enyl)cyclobutyl]methanamine?
[1-(2-methylprop-2-enyl)cyclobutyl]methanamine has a molecular weight of 139.24 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylprop-2-enyl)cyclobutyl]methanamine is sourced from PubChem (CID 130514783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).