3-amino-3-cyclopropyl-N,N-diethylazetidine-1-carboxamide

C11H21N3O — CID 79162193

IUPAC3-amino-3-cyclopropyl-N,N-diethylazetidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CC(N)(C2CC2)C1
InChIInChI=1S/C11H21N3O/c1-3-13(4-2)10(15)14-7-11(12,8-14)9-5-6-9/h9H,3-8,12H2,1-2H3
InChIKeyBTWAULOWCYIXMW-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.87
Rot. Bonds3

About 3-amino-3-cyclopropyl-N,N-diethylazetidine-1-carboxamide

3-amino-3-cyclopropyl-N,N-diethylazetidine-1-carboxamide (PubChem CID 79162193) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-N,N-diethylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-N,N-diethylazetidine-1-carboxamide
PubChem CID79162193
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-amino-3-cyclopropyl-N,N-diethylazetidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CC(N)(C2CC2)C1
InChIInChI=1S/C11H21N3O/c1-3-13(4-2)10(15)14-7-11(12,8-14)9-5-6-9/h9H,3-8,12H2,1-2H3
InChIKeyBTWAULOWCYIXMW-UHFFFAOYSA-N
XLogP0.87
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-N,N-diethylazetidine-1-carboxamide?
The IUPAC name of 3-amino-3-cyclopropyl-N,N-diethylazetidine-1-carboxamide (CID 79162193) is 3-amino-3-cyclopropyl-N,N-diethylazetidine-1-carboxamide.
What is the SMILES notation for 3-amino-3-cyclopropyl-N,N-diethylazetidine-1-carboxamide?
The canonical SMILES for 3-amino-3-cyclopropyl-N,N-diethylazetidine-1-carboxamide is CCN(CC)C(=O)N1CC(N)(C2CC2)C1.
What is the InChIKey of 3-amino-3-cyclopropyl-N,N-diethylazetidine-1-carboxamide?
The InChIKey is BTWAULOWCYIXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-13(4-2)10(15)14-7-11(12,8-14)9-5-6-9/h9H,3-8,12H2,1-2H3.
What are the key properties of 3-amino-3-cyclopropyl-N,N-diethylazetidine-1-carboxamide?
3-amino-3-cyclopropyl-N,N-diethylazetidine-1-carboxamide has a molecular weight of 211.31 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-N,N-diethylazetidine-1-carboxamide is sourced from PubChem (CID 79162193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).