3-(cyclopropanecarbonylamino)propyl-diethylazanium chloride

C11H23ClN2O — CID 20787005

IUPAC3-(cyclopropanecarbonylamino)propyl-diethylazanium chloride
SMILESCC[NH+](CC)CCCNC(=O)C1CC1.[Cl-]
InChIInChI=1S/C11H22N2O.ClH/c1-3-13(4-2)9-5-8-12-11(14)10-6-7-10;/h10H,3-9H2,1-2H3,(H,12,14);1H
InChIKeyWQWBCBXVTQRKEG-UHFFFAOYSA-N
MW234.77 g/mol
LogP-3.17
Rot. Bonds7

About 3-(cyclopropanecarbonylamino)propyl-diethylazanium chloride

3-(cyclopropanecarbonylamino)propyl-diethylazanium chloride (PubChem CID 20787005) has the molecular formula C11H23ClN2O and a molecular weight of 234.77 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)propyl-diethylazanium chloride.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)propyl-diethylazanium chloride
PubChem CID20787005
Molecular FormulaC11H23ClN2O
Molecular Weight234.77 g/mol
Exact Mass234.15
IUPAC Name3-(cyclopropanecarbonylamino)propyl-diethylazanium chloride
SMILESCC[NH+](CC)CCCNC(=O)C1CC1.[Cl-]
InChIInChI=1S/C11H22N2O.ClH/c1-3-13(4-2)9-5-8-12-11(14)10-6-7-10;/h10H,3-9H2,1-2H3,(H,12,14);1H
InChIKeyWQWBCBXVTQRKEG-UHFFFAOYSA-N
XLogP-3.17
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.77
LogP ≤ 5-3.17
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 chloride?
The IUPAC name of 3-(cyclopropanecarbonylamino)propyl-diethylazanium chloride (CID 20787005) is 3-(cyclopropanecarbonylamino)propyl-diethylazanium chloride.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)propyl-diethylazanium chloride?
The canonical SMILES for 3-(cyclopropanecarbonylamino)propyl-diethylazanium chloride is CC[NH+](CC)CCCNC(=O)C1CC1.[Cl-].
What is the InChIKey of 3-(cyclopropanecarbonylamino)propyl-diethylazanium chloride?
The InChIKey is WQWBCBXVTQRKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.ClH/c1-3-13(4-2)9-5-8-12-11(14)10-6-7-10;/h10H,3-9H2,1-2H3,(H,12,14);1H.
What are the key properties of 3-(cyclopropanecarbonylamino)propyl-diethylazanium chloride?
3-(cyclopropanecarbonylamino)propyl-diethylazanium chloride has a molecular weight of 234.77 g/mol, XLogP of -3.17, 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 chloride is sourced from PubChem (CID 20787005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).