N-methyl-1-(3-prop-1-en-2-ylcyclobutyl)methanamine

C9H17N — CID 118395320

IUPACN-methyl-1-(3-prop-1-en-2-ylcyclobutyl)methanamine
SMILESC=C(C)C1CC(CNC)C1
InChIInChI=1S/C9H17N/c1-7(2)9-4-8(5-9)6-10-3/h8-10H,1,4-6H2,2-3H3
InChIKeyVGWCGHOVTXYUGG-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.81
Rot. Bonds3

About N-methyl-1-(3-prop-1-en-2-ylcyclobutyl)methanamine

N-methyl-1-(3-prop-1-en-2-ylcyclobutyl)methanamine (PubChem CID 118395320) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-methyl-1-(3-prop-1-en-2-ylcyclobutyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-prop-1-en-2-ylcyclobutyl)methanamine
PubChem CID118395320
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-methyl-1-(3-prop-1-en-2-ylcyclobutyl)methanamine
SMILESC=C(C)C1CC(CNC)C1
InChIInChI=1S/C9H17N/c1-7(2)9-4-8(5-9)6-10-3/h8-10H,1,4-6H2,2-3H3
InChIKeyVGWCGHOVTXYUGG-UHFFFAOYSA-N
XLogP1.81
TPSA12.03 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 ≤ 51.81
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 N-methyl-1-(3-prop-1-en-2-ylcyclobutyl)methanamine?
The IUPAC name of N-methyl-1-(3-prop-1-en-2-ylcyclobutyl)methanamine (CID 118395320) is N-methyl-1-(3-prop-1-en-2-ylcyclobutyl)methanamine.
What is the SMILES notation for N-methyl-1-(3-prop-1-en-2-ylcyclobutyl)methanamine?
The canonical SMILES for N-methyl-1-(3-prop-1-en-2-ylcyclobutyl)methanamine is C=C(C)C1CC(CNC)C1.
What is the InChIKey of N-methyl-1-(3-prop-1-en-2-ylcyclobutyl)methanamine?
The InChIKey is VGWCGHOVTXYUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7(2)9-4-8(5-9)6-10-3/h8-10H,1,4-6H2,2-3H3.
What are the key properties of N-methyl-1-(3-prop-1-en-2-ylcyclobutyl)methanamine?
N-methyl-1-(3-prop-1-en-2-ylcyclobutyl)methanamine has a molecular weight of 139.24 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-prop-1-en-2-ylcyclobutyl)methanamine is sourced from PubChem (CID 118395320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).