3-(cyclopropanecarbonylamino)propyl-diethylazanium

C11H23N2O+ — CID 4603285

IUPAC3-(cyclopropanecarbonylamino)propyl-diethylazanium
SMILESCC[NH+](CC)CCCNC(=O)C1CC1
InChIInChI=1S/C11H22N2O/c1-3-13(4-2)9-5-8-12-11(14)10-6-7-10/h10H,3-9H2,1-2H3,(H,12,14)/p+1
InChIKeyUKWWAWBCOWJXOY-UHFFFAOYSA-O
MW199.32 g/mol
LogP-0.17
Rot. Bonds7

About 3-(cyclopropanecarbonylamino)propyl-diethylazanium

3-(cyclopropanecarbonylamino)propyl-diethylazanium (PubChem CID 4603285) has the molecular formula C11H23N2O+ and a molecular weight of 199.32 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)propyl-diethylazanium.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)propyl-diethylazanium
PubChem CID4603285
Molecular FormulaC11H23N2O+
Molecular Weight199.32 g/mol
Exact Mass199.18
IUPAC Name3-(cyclopropanecarbonylamino)propyl-diethylazanium
SMILESCC[NH+](CC)CCCNC(=O)C1CC1
InChIInChI=1S/C11H22N2O/c1-3-13(4-2)9-5-8-12-11(14)10-6-7-10/h10H,3-9H2,1-2H3,(H,12,14)/p+1
InChIKeyUKWWAWBCOWJXOY-UHFFFAOYSA-O
XLogP-0.17
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)propyl-diethylazanium?
The IUPAC name of 3-(cyclopropanecarbonylamino)propyl-diethylazanium (CID 4603285) is 3-(cyclopropanecarbonylamino)propyl-diethylazanium.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)propyl-diethylazanium?
The canonical SMILES for 3-(cyclopropanecarbonylamino)propyl-diethylazanium is CC[NH+](CC)CCCNC(=O)C1CC1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)propyl-diethylazanium?
The InChIKey is UKWWAWBCOWJXOY-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H22N2O/c1-3-13(4-2)9-5-8-12-11(14)10-6-7-10/h10H,3-9H2,1-2H3,(H,12,14)/p+1.
What are the key properties of 3-(cyclopropanecarbonylamino)propyl-diethylazanium?
3-(cyclopropanecarbonylamino)propyl-diethylazanium has a molecular weight of 199.32 g/mol, XLogP of -0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)propyl-diethylazanium is sourced from PubChem (CID 4603285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).