N-(4-but-3-enoxypentyl)cyclopropanamine

C12H23NO — CID 62443227

IUPACN-(4-but-3-enoxypentyl)cyclopropanamine
SMILESC=CCCOC(C)CCCNC1CC1
InChIInChI=1S/C12H23NO/c1-3-4-10-14-11(2)6-5-9-13-12-7-8-12/h3,11-13H,1,4-10H2,2H3
InChIKeyFAICWMSLOXGHQS-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds9

About N-(4-but-3-enoxypentyl)cyclopropanamine

N-(4-but-3-enoxypentyl)cyclopropanamine (PubChem CID 62443227) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(4-but-3-enoxypentyl)cyclopropanamine.

Molecular Properties

Compound NameN-(4-but-3-enoxypentyl)cyclopropanamine
PubChem CID62443227
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(4-but-3-enoxypentyl)cyclopropanamine
SMILESC=CCCOC(C)CCCNC1CC1
InChIInChI=1S/C12H23NO/c1-3-4-10-14-11(2)6-5-9-13-12-7-8-12/h3,11-13H,1,4-10H2,2H3
InChIKeyFAICWMSLOXGHQS-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
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-(4-but-3-enoxypentyl)cyclopropanamine?
The IUPAC name of N-(4-but-3-enoxypentyl)cyclopropanamine (CID 62443227) is N-(4-but-3-enoxypentyl)cyclopropanamine.
What is the SMILES notation for N-(4-but-3-enoxypentyl)cyclopropanamine?
The canonical SMILES for N-(4-but-3-enoxypentyl)cyclopropanamine is C=CCCOC(C)CCCNC1CC1.
What is the InChIKey of N-(4-but-3-enoxypentyl)cyclopropanamine?
The InChIKey is FAICWMSLOXGHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-4-10-14-11(2)6-5-9-13-12-7-8-12/h3,11-13H,1,4-10H2,2H3.
What are the key properties of N-(4-but-3-enoxypentyl)cyclopropanamine?
N-(4-but-3-enoxypentyl)cyclopropanamine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-but-3-enoxypentyl)cyclopropanamine is sourced from PubChem (CID 62443227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).