[1-(cyclopropanecarbonylamino)-2-(methylamino)ethyl]-trimethylazanium

C10H22N3O+ — CID 174322432

IUPAC[1-(cyclopropanecarbonylamino)-2-(methylamino)ethyl]-trimethylazanium
SMILESCNCC(NC(=O)C1CC1)[N+](C)(C)C
InChIInChI=1S/C10H21N3O/c1-11-7-9(13(2,3)4)12-10(14)8-5-6-8/h8-9,11H,5-7H2,1-4H3/p+1
InChIKeyYKIWOUOWZMTZDG-UHFFFAOYSA-O
MW200.31 g/mol
LogP-0.24
Rot. Bonds5

About [1-(cyclopropanecarbonylamino)-2-(methylamino)ethyl]-trimethylazanium

[1-(cyclopropanecarbonylamino)-2-(methylamino)ethyl]-trimethylazanium (PubChem CID 174322432) has the molecular formula C10H22N3O+ and a molecular weight of 200.31 g/mol. Its IUPAC name is [1-(cyclopropanecarbonylamino)-2-(methylamino)ethyl]-trimethylazanium.

Molecular Properties

Compound Name[1-(cyclopropanecarbonylamino)-2-(methylamino)ethyl]-trimethylazanium
PubChem CID174322432
Molecular FormulaC10H22N3O+
Molecular Weight200.31 g/mol
Exact Mass200.18
IUPAC Name[1-(cyclopropanecarbonylamino)-2-(methylamino)ethyl]-trimethylazanium
SMILESCNCC(NC(=O)C1CC1)[N+](C)(C)C
InChIInChI=1S/C10H21N3O/c1-11-7-9(13(2,3)4)12-10(14)8-5-6-8/h8-9,11H,5-7H2,1-4H3/p+1
InChIKeyYKIWOUOWZMTZDG-UHFFFAOYSA-O
XLogP-0.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [1-(cyclopropanecarbonylamino)-2-(methylamino)ethyl]-trimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropanecarbonylamino)-2-(methylamino)ethyl]-trimethylazanium?
The IUPAC name of [1-(cyclopropanecarbonylamino)-2-(methylamino)ethyl]-trimethylazanium (CID 174322432) is [1-(cyclopropanecarbonylamino)-2-(methylamino)ethyl]-trimethylazanium.
What is the SMILES notation for [1-(cyclopropanecarbonylamino)-2-(methylamino)ethyl]-trimethylazanium?
The canonical SMILES for [1-(cyclopropanecarbonylamino)-2-(methylamino)ethyl]-trimethylazanium is CNCC(NC(=O)C1CC1)[N+](C)(C)C.
What is the InChIKey of [1-(cyclopropanecarbonylamino)-2-(methylamino)ethyl]-trimethylazanium?
The InChIKey is YKIWOUOWZMTZDG-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H21N3O/c1-11-7-9(13(2,3)4)12-10(14)8-5-6-8/h8-9,11H,5-7H2,1-4H3/p+1.
What are the key properties of [1-(cyclopropanecarbonylamino)-2-(methylamino)ethyl]-trimethylazanium?
[1-(cyclopropanecarbonylamino)-2-(methylamino)ethyl]-trimethylazanium has a molecular weight of 200.31 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropanecarbonylamino)-2-(methylamino)ethyl]-trimethylazanium is sourced from PubChem (CID 174322432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).