N-[3-[(E)-but-2-enoxy]propyl]cyclopropanamine

C10H19NO — CID 62440463

IUPACN-[3-[(E)-but-2-enoxy]propyl]cyclopropanamine
SMILESC/C=C/COCCCNC1CC1
InChIInChI=1S/C10H19NO/c1-2-3-8-12-9-4-7-11-10-5-6-10/h2-3,10-11H,4-9H2,1H3/b3-2+
InChIKeyHOJFZTAZBGQSGY-NSCUHMNNSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds7

About N-[3-[(E)-but-2-enoxy]propyl]cyclopropanamine

N-[3-[(E)-but-2-enoxy]propyl]cyclopropanamine (PubChem CID 62440463) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-[3-[(E)-but-2-enoxy]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[(E)-but-2-enoxy]propyl]cyclopropanamine
PubChem CID62440463
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-[3-[(E)-but-2-enoxy]propyl]cyclopropanamine
SMILESC/C=C/COCCCNC1CC1
InChIInChI=1S/C10H19NO/c1-2-3-8-12-9-4-7-11-10-5-6-10/h2-3,10-11H,4-9H2,1H3/b3-2+
InChIKeyHOJFZTAZBGQSGY-NSCUHMNNSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-but-2-enoxy]propyl]cyclopropanamine?
The IUPAC name of N-[3-[(E)-but-2-enoxy]propyl]cyclopropanamine (CID 62440463) is N-[3-[(E)-but-2-enoxy]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[(E)-but-2-enoxy]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[(E)-but-2-enoxy]propyl]cyclopropanamine is C/C=C/COCCCNC1CC1.
What is the InChIKey of N-[3-[(E)-but-2-enoxy]propyl]cyclopropanamine?
The InChIKey is HOJFZTAZBGQSGY-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-8-12-9-4-7-11-10-5-6-10/h2-3,10-11H,4-9H2,1H3/b3-2+.
What are the key properties of N-[3-[(E)-but-2-enoxy]propyl]cyclopropanamine?
N-[3-[(E)-but-2-enoxy]propyl]cyclopropanamine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-but-2-enoxy]propyl]cyclopropanamine is sourced from PubChem (CID 62440463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).