N-[3-(cyclopropylamino)propyl]but-3-enamide

C10H18N2O — CID 62677792

IUPACN-[3-(cyclopropylamino)propyl]but-3-enamide
SMILESC=CCC(=O)NCCCNC1CC1
InChIInChI=1S/C10H18N2O/c1-2-4-10(13)12-8-3-7-11-9-5-6-9/h2,9,11H,1,3-8H2,(H,12,13)
InChIKeyCDPSGHDAVWUWLN-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.82
Rot. Bonds7

About N-[3-(cyclopropylamino)propyl]but-3-enamide

N-[3-(cyclopropylamino)propyl]but-3-enamide (PubChem CID 62677792) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]but-3-enamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]but-3-enamide
PubChem CID62677792
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[3-(cyclopropylamino)propyl]but-3-enamide
SMILESC=CCC(=O)NCCCNC1CC1
InChIInChI=1S/C10H18N2O/c1-2-4-10(13)12-8-3-7-11-9-5-6-9/h2,9,11H,1,3-8H2,(H,12,13)
InChIKeyCDPSGHDAVWUWLN-UHFFFAOYSA-N
XLogP0.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
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-(cyclopropylamino)propyl]but-3-enamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]but-3-enamide (CID 62677792) is N-[3-(cyclopropylamino)propyl]but-3-enamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]but-3-enamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]but-3-enamide is C=CCC(=O)NCCCNC1CC1.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]but-3-enamide?
The InChIKey is CDPSGHDAVWUWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-4-10(13)12-8-3-7-11-9-5-6-9/h2,9,11H,1,3-8H2,(H,12,13).
What are the key properties of N-[3-(cyclopropylamino)propyl]but-3-enamide?
N-[3-(cyclopropylamino)propyl]but-3-enamide has a molecular weight of 182.27 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]but-3-enamide is sourced from PubChem (CID 62677792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).