N-(3-prop-2-enoxypropyl)cyclopropanamine

C9H17NO — CID 62442635

IUPACN-(3-prop-2-enoxypropyl)cyclopropanamine
SMILESC=CCOCCCNC1CC1
InChIInChI=1S/C9H17NO/c1-2-7-11-8-3-6-10-9-4-5-9/h2,9-10H,1,3-8H2
InChIKeyGRFPJNKLRRXVSK-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds7

About N-(3-prop-2-enoxypropyl)cyclopropanamine

N-(3-prop-2-enoxypropyl)cyclopropanamine (PubChem CID 62442635) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-(3-prop-2-enoxypropyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3-prop-2-enoxypropyl)cyclopropanamine
PubChem CID62442635
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-(3-prop-2-enoxypropyl)cyclopropanamine
SMILESC=CCOCCCNC1CC1
InChIInChI=1S/C9H17NO/c1-2-7-11-8-3-6-10-9-4-5-9/h2,9-10H,1,3-8H2
InChIKeyGRFPJNKLRRXVSK-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.33
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-prop-2-enoxypropyl)cyclopropanamine?
The IUPAC name of N-(3-prop-2-enoxypropyl)cyclopropanamine (CID 62442635) is N-(3-prop-2-enoxypropyl)cyclopropanamine.
What is the SMILES notation for N-(3-prop-2-enoxypropyl)cyclopropanamine?
The canonical SMILES for N-(3-prop-2-enoxypropyl)cyclopropanamine is C=CCOCCCNC1CC1.
What is the InChIKey of N-(3-prop-2-enoxypropyl)cyclopropanamine?
The InChIKey is GRFPJNKLRRXVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-7-11-8-3-6-10-9-4-5-9/h2,9-10H,1,3-8H2.
What are the key properties of N-(3-prop-2-enoxypropyl)cyclopropanamine?
N-(3-prop-2-enoxypropyl)cyclopropanamine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-prop-2-enoxypropyl)cyclopropanamine is sourced from PubChem (CID 62442635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).