7-amino-5,5-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one

C11H21N5O — CID 107062083

IUPAC7-amino-5,5-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one
SMILESCn1nnc(CC(=O)CCC(C)(C)CCN)n1
InChIInChI=1S/C11H21N5O/c1-11(2,6-7-12)5-4-9(17)8-10-13-15-16(3)14-10/h4-8,12H2,1-3H3
InChIKeyDEKQLZHRNKTWHG-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.48
Rot. Bonds7

About 7-amino-5,5-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one

7-amino-5,5-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one (PubChem CID 107062083) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 7-amino-5,5-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one.

Molecular Properties

Compound Name7-amino-5,5-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one
PubChem CID107062083
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name7-amino-5,5-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one
SMILESCn1nnc(CC(=O)CCC(C)(C)CCN)n1
InChIInChI=1S/C11H21N5O/c1-11(2,6-7-12)5-4-9(17)8-10-13-15-16(3)14-10/h4-8,12H2,1-3H3
InChIKeyDEKQLZHRNKTWHG-UHFFFAOYSA-N
XLogP0.48
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-amino-5,5-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one 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 7-amino-5,5-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one?
The IUPAC name of 7-amino-5,5-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one (CID 107062083) is 7-amino-5,5-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one.
What is the SMILES notation for 7-amino-5,5-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one?
The canonical SMILES for 7-amino-5,5-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one is Cn1nnc(CC(=O)CCC(C)(C)CCN)n1.
What is the InChIKey of 7-amino-5,5-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one?
The InChIKey is DEKQLZHRNKTWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-11(2,6-7-12)5-4-9(17)8-10-13-15-16(3)14-10/h4-8,12H2,1-3H3.
What are the key properties of 7-amino-5,5-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one?
7-amino-5,5-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one has a molecular weight of 239.32 g/mol, XLogP of 0.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5,5-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one is sourced from PubChem (CID 107062083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).