N-[(E)-but-2-enyl]-N-methylcyclobutanamine

C9H17N — CID 131234437

IUPACN-[(E)-but-2-enyl]-N-methylcyclobutanamine
SMILESC/C=C/CN(C)C1CCC1
InChIInChI=1S/C9H17N/c1-3-4-8-10(2)9-6-5-7-9/h3-4,9H,5-8H2,1-2H3/b4-3+
InChIKeyDEUIZUGMMSWPKX-ONEGZZNKSA-N
MW139.24 g/mol
LogP2.05
Rot. Bonds3

About N-[(E)-but-2-enyl]-N-methylcyclobutanamine

N-[(E)-but-2-enyl]-N-methylcyclobutanamine (PubChem CID 131234437) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-N-methylcyclobutanamine.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-N-methylcyclobutanamine
PubChem CID131234437
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-[(E)-but-2-enyl]-N-methylcyclobutanamine
SMILESC/C=C/CN(C)C1CCC1
InChIInChI=1S/C9H17N/c1-3-4-8-10(2)9-6-5-7-9/h3-4,9H,5-8H2,1-2H3/b4-3+
InChIKeyDEUIZUGMMSWPKX-ONEGZZNKSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
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-[(E)-but-2-enyl]-N-methylcyclobutanamine?
The IUPAC name of N-[(E)-but-2-enyl]-N-methylcyclobutanamine (CID 131234437) is N-[(E)-but-2-enyl]-N-methylcyclobutanamine.
What is the SMILES notation for N-[(E)-but-2-enyl]-N-methylcyclobutanamine?
The canonical SMILES for N-[(E)-but-2-enyl]-N-methylcyclobutanamine is C/C=C/CN(C)C1CCC1.
What is the InChIKey of N-[(E)-but-2-enyl]-N-methylcyclobutanamine?
The InChIKey is DEUIZUGMMSWPKX-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H17N/c1-3-4-8-10(2)9-6-5-7-9/h3-4,9H,5-8H2,1-2H3/b4-3+.
What are the key properties of N-[(E)-but-2-enyl]-N-methylcyclobutanamine?
N-[(E)-but-2-enyl]-N-methylcyclobutanamine has a molecular weight of 139.24 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-N-methylcyclobutanamine is sourced from PubChem (CID 131234437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).