N-but-2-enyl-N-methylcyclopropanamine

C8H15N — CID 123953048

IUPACN-but-2-enyl-N-methylcyclopropanamine
SMILESCC=CCN(C)C1CC1
InChIInChI=1S/C8H15N/c1-3-4-7-9(2)8-5-6-8/h3-4,8H,5-7H2,1-2H3
InChIKeyKXFWROYLPJVRJW-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.66
Rot. Bonds3

About N-but-2-enyl-N-methylcyclopropanamine

N-but-2-enyl-N-methylcyclopropanamine (PubChem CID 123953048) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-but-2-enyl-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-but-2-enyl-N-methylcyclopropanamine
PubChem CID123953048
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-but-2-enyl-N-methylcyclopropanamine
SMILESCC=CCN(C)C1CC1
InChIInChI=1S/C8H15N/c1-3-4-7-9(2)8-5-6-8/h3-4,8H,5-7H2,1-2H3
InChIKeyKXFWROYLPJVRJW-UHFFFAOYSA-N
XLogP1.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.66
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-but-2-enyl-N-methylcyclopropanamine?
The IUPAC name of N-but-2-enyl-N-methylcyclopropanamine (CID 123953048) is N-but-2-enyl-N-methylcyclopropanamine.
What is the SMILES notation for N-but-2-enyl-N-methylcyclopropanamine?
The canonical SMILES for N-but-2-enyl-N-methylcyclopropanamine is CC=CCN(C)C1CC1.
What is the InChIKey of N-but-2-enyl-N-methylcyclopropanamine?
The InChIKey is KXFWROYLPJVRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-3-4-7-9(2)8-5-6-8/h3-4,8H,5-7H2,1-2H3.
What are the key properties of N-but-2-enyl-N-methylcyclopropanamine?
N-but-2-enyl-N-methylcyclopropanamine has a molecular weight of 125.21 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-enyl-N-methylcyclopropanamine is sourced from PubChem (CID 123953048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).