N-(3,3-dimethylbutan-2-ylideneamino)-2H-tetrazol-5-amine

C7H14N6 — CID 1210394

IUPACN-(3,3-dimethylbutan-2-ylideneamino)-2H-tetrazol-5-amine
SMILESCC(=NNc1nn[nH]n1)C(C)(C)C
InChIInChI=1S/C7H14N6/c1-5(7(2,3)4)8-9-6-10-12-13-11-6/h1-4H3,(H2,9,10,11,12,13)
InChIKeyJGZOEPSSKRVIEO-UHFFFAOYSA-N
MW182.23 g/mol
LogP1.03
Rot. Bonds2

About N-(3,3-dimethylbutan-2-ylideneamino)-2H-tetrazol-5-amine

N-(3,3-dimethylbutan-2-ylideneamino)-2H-tetrazol-5-amine (PubChem CID 1210394) has the molecular formula C7H14N6 and a molecular weight of 182.23 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-ylideneamino)-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-ylideneamino)-2H-tetrazol-5-amine
PubChem CID1210394
Molecular FormulaC7H14N6
Molecular Weight182.23 g/mol
Exact Mass182.13
IUPAC NameN-(3,3-dimethylbutan-2-ylideneamino)-2H-tetrazol-5-amine
SMILESCC(=NNc1nn[nH]n1)C(C)(C)C
InChIInChI=1S/C7H14N6/c1-5(7(2,3)4)8-9-6-10-12-13-11-6/h1-4H3,(H2,9,10,11,12,13)
InChIKeyJGZOEPSSKRVIEO-UHFFFAOYSA-N
XLogP1.03
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-ylideneamino)-2H-tetrazol-5-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-ylideneamino)-2H-tetrazol-5-amine (CID 1210394) is N-(3,3-dimethylbutan-2-ylideneamino)-2H-tetrazol-5-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-ylideneamino)-2H-tetrazol-5-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-ylideneamino)-2H-tetrazol-5-amine is CC(=NNc1nn[nH]n1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-ylideneamino)-2H-tetrazol-5-amine?
The InChIKey is JGZOEPSSKRVIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6/c1-5(7(2,3)4)8-9-6-10-12-13-11-6/h1-4H3,(H2,9,10,11,12,13).
What are the key properties of N-(3,3-dimethylbutan-2-ylideneamino)-2H-tetrazol-5-amine?
N-(3,3-dimethylbutan-2-ylideneamino)-2H-tetrazol-5-amine has a molecular weight of 182.23 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-ylideneamino)-2H-tetrazol-5-amine is sourced from PubChem (CID 1210394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).