4,4-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide

C11H21N5O — CID 119074533

IUPAC4,4-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide
SMILESCC(C)(C)CCC(=O)NCCCc1nn[nH]n1
InChIInChI=1S/C11H21N5O/c1-11(2,3)7-6-10(17)12-8-4-5-9-13-15-16-14-9/h4-8H2,1-3H3,(H,12,17)(H,13,14,15,16)
InChIKeyNJNIVJNNBXQRJL-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.07
Rot. Bonds6

About 4,4-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide

4,4-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide (PubChem CID 119074533) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 4,4-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide.

Molecular Properties

Compound Name4,4-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide
PubChem CID119074533
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name4,4-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide
SMILESCC(C)(C)CCC(=O)NCCCc1nn[nH]n1
InChIInChI=1S/C11H21N5O/c1-11(2,3)7-6-10(17)12-8-4-5-9-13-15-16-14-9/h4-8H2,1-3H3,(H,12,17)(H,13,14,15,16)
InChIKeyNJNIVJNNBXQRJL-UHFFFAOYSA-N
XLogP1.07
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4,4-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide?
The IUPAC name of 4,4-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide (CID 119074533) is 4,4-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide.
What is the SMILES notation for 4,4-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide?
The canonical SMILES for 4,4-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide is CC(C)(C)CCC(=O)NCCCc1nn[nH]n1.
What is the InChIKey of 4,4-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide?
The InChIKey is NJNIVJNNBXQRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-11(2,3)7-6-10(17)12-8-4-5-9-13-15-16-14-9/h4-8H2,1-3H3,(H,12,17)(H,13,14,15,16).
What are the key properties of 4,4-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide?
4,4-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide has a molecular weight of 239.32 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]pentanamide is sourced from PubChem (CID 119074533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).