3-(aminomethyl)-N,N-diethylazetidine-1-carboxamide

C9H19N3O — CID 79160798

IUPAC3-(aminomethyl)-N,N-diethylazetidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CC(CN)C1
InChIInChI=1S/C9H19N3O/c1-3-11(4-2)9(13)12-6-8(5-10)7-12/h8H,3-7,10H2,1-2H3
InChIKeyQRWMRVWKZOYTMF-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.34
Rot. Bonds3

About 3-(aminomethyl)-N,N-diethylazetidine-1-carboxamide

3-(aminomethyl)-N,N-diethylazetidine-1-carboxamide (PubChem CID 79160798) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(aminomethyl)-N,N-diethylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N,N-diethylazetidine-1-carboxamide
PubChem CID79160798
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-(aminomethyl)-N,N-diethylazetidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CC(CN)C1
InChIInChI=1S/C9H19N3O/c1-3-11(4-2)9(13)12-6-8(5-10)7-12/h8H,3-7,10H2,1-2H3
InChIKeyQRWMRVWKZOYTMF-UHFFFAOYSA-N
XLogP0.34
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,N-diethylazetidine-1-carboxamide?
The IUPAC name of 3-(aminomethyl)-N,N-diethylazetidine-1-carboxamide (CID 79160798) is 3-(aminomethyl)-N,N-diethylazetidine-1-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N,N-diethylazetidine-1-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N,N-diethylazetidine-1-carboxamide is CCN(CC)C(=O)N1CC(CN)C1.
What is the InChIKey of 3-(aminomethyl)-N,N-diethylazetidine-1-carboxamide?
The InChIKey is QRWMRVWKZOYTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-11(4-2)9(13)12-6-8(5-10)7-12/h8H,3-7,10H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N,N-diethylazetidine-1-carboxamide?
3-(aminomethyl)-N,N-diethylazetidine-1-carboxamide has a molecular weight of 185.27 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,N-diethylazetidine-1-carboxamide is sourced from PubChem (CID 79160798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).