N,N-dimethylbutan-1-amine;5-methyl-2H-tetrazole

C8H19N5 — CID 86084386

IUPACN,N-dimethylbutan-1-amine;5-methyl-2H-tetrazole
SMILESCCCCN(C)C.Cc1nn[nH]n1
InChIInChI=1S/C6H15N.C2H4N4/c1-4-5-6-7(2)3;1-2-3-5-6-4-2/h4-6H2,1-3H3;1H3,(H,3,4,5,6)
InChIKeyFIQXCUIPIPGYIK-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.86
Rot. Bonds3

About N,N-dimethylbutan-1-amine;5-methyl-2H-tetrazole

N,N-dimethylbutan-1-amine;5-methyl-2H-tetrazole (PubChem CID 86084386) has the molecular formula C8H19N5 and a molecular weight of 185.27 g/mol. Its IUPAC name is N,N-dimethylbutan-1-amine;5-methyl-2H-tetrazole.

Molecular Properties

Compound NameN,N-dimethylbutan-1-amine;5-methyl-2H-tetrazole
PubChem CID86084386
Molecular FormulaC8H19N5
Molecular Weight185.27 g/mol
Exact Mass185.16
IUPAC NameN,N-dimethylbutan-1-amine;5-methyl-2H-tetrazole
SMILESCCCCN(C)C.Cc1nn[nH]n1
InChIInChI=1S/C6H15N.C2H4N4/c1-4-5-6-7(2)3;1-2-3-5-6-4-2/h4-6H2,1-3H3;1H3,(H,3,4,5,6)
InChIKeyFIQXCUIPIPGYIK-UHFFFAOYSA-N
XLogP0.86
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis(5-methyl-2H-tetrazole);oxygen(2-);hydrate
CID 162299493
methanamine;5-methyl-2H-tetrazole
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N,N-dimethylbutan-1-amine;dihydrochloride
CID 174248401
N,N-dimethylbutan-1-amine;ethane;methane
CID 142050981
5-methyl-2H-tetrazole;prop-1-en-2-amine
CID 158635982
N,N-dimethylbutan-1-amine;5-methyl-1H-imidazole
CID 144593891
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CID 161279104
N,N-dimethylnonadecan-1-amine
CID 546994
N,N-dimethyldecan-1-amine;ruthenium
CID 158300226
N,N-dimethyloctan-1-amine;trihydrochloride
CID 172784847
N,N-dimethylhexadecan-1-amine;hydrobromide
CID 71365203
N,N-dimethylpentacosan-1-amine;hydrobromide
CID 174802696

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylbutan-1-amine;5-methyl-2H-tetrazole?
The IUPAC name of N,N-dimethylbutan-1-amine;5-methyl-2H-tetrazole (CID 86084386) is N,N-dimethylbutan-1-amine;5-methyl-2H-tetrazole.
What is the SMILES notation for N,N-dimethylbutan-1-amine;5-methyl-2H-tetrazole?
The canonical SMILES for N,N-dimethylbutan-1-amine;5-methyl-2H-tetrazole is CCCCN(C)C.Cc1nn[nH]n1.
What is the InChIKey of N,N-dimethylbutan-1-amine;5-methyl-2H-tetrazole?
The InChIKey is FIQXCUIPIPGYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2H4N4/c1-4-5-6-7(2)3;1-2-3-5-6-4-2/h4-6H2,1-3H3;1H3,(H,3,4,5,6).
What are the key properties of N,N-dimethylbutan-1-amine;5-methyl-2H-tetrazole?
N,N-dimethylbutan-1-amine;5-methyl-2H-tetrazole has a molecular weight of 185.27 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylbutan-1-amine;5-methyl-2H-tetrazole is sourced from PubChem (CID 86084386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).