N-(4-chloro-2,2-dimethylbutyl)-1-methyltetrazol-5-amine

C8H16ClN5 — CID 106141858

IUPACN-(4-chloro-2,2-dimethylbutyl)-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCC(C)(C)CCCl
InChIInChI=1S/C8H16ClN5/c1-8(2,4-5-9)6-10-7-11-12-13-14(7)3/h4-6H2,1-3H3,(H,10,11,13)
InChIKeyDGKFNPIOLVOAJH-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.28
Rot. Bonds5

About N-(4-chloro-2,2-dimethylbutyl)-1-methyltetrazol-5-amine

N-(4-chloro-2,2-dimethylbutyl)-1-methyltetrazol-5-amine (PubChem CID 106141858) has the molecular formula C8H16ClN5 and a molecular weight of 217.70 g/mol. Its IUPAC name is N-(4-chloro-2,2-dimethylbutyl)-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-(4-chloro-2,2-dimethylbutyl)-1-methyltetrazol-5-amine
PubChem CID106141858
Molecular FormulaC8H16ClN5
Molecular Weight217.70 g/mol
Exact Mass217.11
IUPAC NameN-(4-chloro-2,2-dimethylbutyl)-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCC(C)(C)CCCl
InChIInChI=1S/C8H16ClN5/c1-8(2,4-5-9)6-10-7-11-12-13-14(7)3/h4-6H2,1-3H3,(H,10,11,13)
InChIKeyDGKFNPIOLVOAJH-UHFFFAOYSA-N
XLogP1.28
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-chloro-2,2-dimethylbutyl)-1-methyltetrazol-5-amine 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 N-(4-chloro-2,2-dimethylbutyl)-1-methyltetrazol-5-amine?
The IUPAC name of N-(4-chloro-2,2-dimethylbutyl)-1-methyltetrazol-5-amine (CID 106141858) is N-(4-chloro-2,2-dimethylbutyl)-1-methyltetrazol-5-amine.
What is the SMILES notation for N-(4-chloro-2,2-dimethylbutyl)-1-methyltetrazol-5-amine?
The canonical SMILES for N-(4-chloro-2,2-dimethylbutyl)-1-methyltetrazol-5-amine is Cn1nnnc1NCC(C)(C)CCCl.
What is the InChIKey of N-(4-chloro-2,2-dimethylbutyl)-1-methyltetrazol-5-amine?
The InChIKey is DGKFNPIOLVOAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN5/c1-8(2,4-5-9)6-10-7-11-12-13-14(7)3/h4-6H2,1-3H3,(H,10,11,13).
What are the key properties of N-(4-chloro-2,2-dimethylbutyl)-1-methyltetrazol-5-amine?
N-(4-chloro-2,2-dimethylbutyl)-1-methyltetrazol-5-amine has a molecular weight of 217.70 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,2-dimethylbutyl)-1-methyltetrazol-5-amine is sourced from PubChem (CID 106141858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).