N-(2-pent-4-enoxypropyl)cyclopropanamine

C11H21NO — CID 79112694

IUPACN-(2-pent-4-enoxypropyl)cyclopropanamine
SMILESC=CCCCOC(C)CNC1CC1
InChIInChI=1S/C11H21NO/c1-3-4-5-8-13-10(2)9-12-11-6-7-11/h3,10-12H,1,4-9H2,2H3
InChIKeyORKTYIIIVPNATC-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds8

About N-(2-pent-4-enoxypropyl)cyclopropanamine

N-(2-pent-4-enoxypropyl)cyclopropanamine (PubChem CID 79112694) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-(2-pent-4-enoxypropyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-pent-4-enoxypropyl)cyclopropanamine
PubChem CID79112694
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-(2-pent-4-enoxypropyl)cyclopropanamine
SMILESC=CCCCOC(C)CNC1CC1
InChIInChI=1S/C11H21NO/c1-3-4-5-8-13-10(2)9-12-11-6-7-11/h3,10-12H,1,4-9H2,2H3
InChIKeyORKTYIIIVPNATC-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
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-(2-pent-4-enoxypropyl)cyclopropanamine?
The IUPAC name of N-(2-pent-4-enoxypropyl)cyclopropanamine (CID 79112694) is N-(2-pent-4-enoxypropyl)cyclopropanamine.
What is the SMILES notation for N-(2-pent-4-enoxypropyl)cyclopropanamine?
The canonical SMILES for N-(2-pent-4-enoxypropyl)cyclopropanamine is C=CCCCOC(C)CNC1CC1.
What is the InChIKey of N-(2-pent-4-enoxypropyl)cyclopropanamine?
The InChIKey is ORKTYIIIVPNATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-5-8-13-10(2)9-12-11-6-7-11/h3,10-12H,1,4-9H2,2H3.
What are the key properties of N-(2-pent-4-enoxypropyl)cyclopropanamine?
N-(2-pent-4-enoxypropyl)cyclopropanamine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pent-4-enoxypropyl)cyclopropanamine is sourced from PubChem (CID 79112694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).