2,2-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]propanamide

C9H17N5O — CID 59401942

IUPAC2,2-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]propanamide
SMILESCC(C)(C)C(=O)NCCCc1nn[nH]n1
InChIInChI=1S/C9H17N5O/c1-9(2,3)8(15)10-6-4-5-7-11-13-14-12-7/h4-6H2,1-3H3,(H,10,15)(H,11,12,13,14)
InChIKeyPKNRFQVRIMHJOF-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.29
Rot. Bonds4

About 2,2-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]propanamide

2,2-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]propanamide (PubChem CID 59401942) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]propanamide
PubChem CID59401942
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name2,2-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]propanamide
SMILESCC(C)(C)C(=O)NCCCc1nn[nH]n1
InChIInChI=1S/C9H17N5O/c1-9(2,3)8(15)10-6-4-5-7-11-13-14-12-7/h4-6H2,1-3H3,(H,10,15)(H,11,12,13,14)
InChIKeyPKNRFQVRIMHJOF-UHFFFAOYSA-N
XLogP0.29
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]propanamide 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 2,2-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]propanamide (CID 59401942) is 2,2-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]propanamide is CC(C)(C)C(=O)NCCCc1nn[nH]n1.
What is the InChIKey of 2,2-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]propanamide?
The InChIKey is PKNRFQVRIMHJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-9(2,3)8(15)10-6-4-5-7-11-13-14-12-7/h4-6H2,1-3H3,(H,10,15)(H,11,12,13,14).
What are the key properties of 2,2-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]propanamide?
2,2-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]propanamide has a molecular weight of 211.27 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]propanamide is sourced from PubChem (CID 59401942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).