N-(3-but-3-enoxypropyl)cyclopropanamine

C10H19NO — CID 62442853

IUPACN-(3-but-3-enoxypropyl)cyclopropanamine
SMILESC=CCCOCCCNC1CC1
InChIInChI=1S/C10H19NO/c1-2-3-8-12-9-4-7-11-10-5-6-10/h2,10-11H,1,3-9H2
InChIKeyNEIMHFLNHBKPAF-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds8

About N-(3-but-3-enoxypropyl)cyclopropanamine

N-(3-but-3-enoxypropyl)cyclopropanamine (PubChem CID 62442853) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-(3-but-3-enoxypropyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3-but-3-enoxypropyl)cyclopropanamine
PubChem CID62442853
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-(3-but-3-enoxypropyl)cyclopropanamine
SMILESC=CCCOCCCNC1CC1
InChIInChI=1S/C10H19NO/c1-2-3-8-12-9-4-7-11-10-5-6-10/h2,10-11H,1,3-9H2
InChIKeyNEIMHFLNHBKPAF-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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-but-3-enoxypropyl)cyclopropanamine?
The IUPAC name of N-(3-but-3-enoxypropyl)cyclopropanamine (CID 62442853) is N-(3-but-3-enoxypropyl)cyclopropanamine.
What is the SMILES notation for N-(3-but-3-enoxypropyl)cyclopropanamine?
The canonical SMILES for N-(3-but-3-enoxypropyl)cyclopropanamine is C=CCCOCCCNC1CC1.
What is the InChIKey of N-(3-but-3-enoxypropyl)cyclopropanamine?
The InChIKey is NEIMHFLNHBKPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-8-12-9-4-7-11-10-5-6-10/h2,10-11H,1,3-9H2.
What are the key properties of N-(3-but-3-enoxypropyl)cyclopropanamine?
N-(3-but-3-enoxypropyl)cyclopropanamine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-but-3-enoxypropyl)cyclopropanamine is sourced from PubChem (CID 62442853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).