1-[1-(2,2-dimethylbutyl)tetrazol-5-yl]ethanamine

C9H19N5 — CID 103464920

IUPAC1-[1-(2,2-dimethylbutyl)tetrazol-5-yl]ethanamine
SMILESCCC(C)(C)Cn1nnnc1C(C)N
InChIInChI=1S/C9H19N5/c1-5-9(3,4)6-14-8(7(2)10)11-12-13-14/h7H,5-6,10H2,1-4H3
InChIKeyRVWVDIGATJHDAR-UHFFFAOYSA-N
MW197.29 g/mol
LogP1.13
Rot. Bonds4

About 1-[1-(2,2-dimethylbutyl)tetrazol-5-yl]ethanamine

1-[1-(2,2-dimethylbutyl)tetrazol-5-yl]ethanamine (PubChem CID 103464920) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is 1-[1-(2,2-dimethylbutyl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2,2-dimethylbutyl)tetrazol-5-yl]ethanamine
PubChem CID103464920
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name1-[1-(2,2-dimethylbutyl)tetrazol-5-yl]ethanamine
SMILESCCC(C)(C)Cn1nnnc1C(C)N
InChIInChI=1S/C9H19N5/c1-5-9(3,4)6-14-8(7(2)10)11-12-13-14/h7H,5-6,10H2,1-4H3
InChIKeyRVWVDIGATJHDAR-UHFFFAOYSA-N
XLogP1.13
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(5-methylhexyl)tetrazol-5-yl]ethanamine
CID 103086687
1-[1-(4-methylsulfanylbutyl)tetrazol-5-yl]ethanamine
CID 103086948
N-[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085674
1-(1-methyltetrazol-5-yl)ethanamine
CID 75355753
1-[1-(3-methylsulfinylbutyl)tetrazol-5-yl]ethanamine
CID 103086966
2-ethyl-2-[[5-(3-methylbutan-2-yl)tetrazol-1-yl]methyl]butanoic acid
CID 113308820
1-[1-[2-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethanamine
CID 103085331
5-(1-chloroethyl)-1-(3-ethylpentan-3-yl)tetrazole
CID 103084565
2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid
CID 84681641
1-[1-[(3-bromothiophen-2-yl)methyl]tetrazol-5-yl]ethanamine
CID 103086610
N-[1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086515
1-[1-(oxan-2-ylmethyl)tetrazol-5-yl]ethanamine
CID 103085687

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-dimethylbutyl)tetrazol-5-yl]ethanamine?
The IUPAC name of 1-[1-(2,2-dimethylbutyl)tetrazol-5-yl]ethanamine (CID 103464920) is 1-[1-(2,2-dimethylbutyl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for 1-[1-(2,2-dimethylbutyl)tetrazol-5-yl]ethanamine?
The canonical SMILES for 1-[1-(2,2-dimethylbutyl)tetrazol-5-yl]ethanamine is CCC(C)(C)Cn1nnnc1C(C)N.
What is the InChIKey of 1-[1-(2,2-dimethylbutyl)tetrazol-5-yl]ethanamine?
The InChIKey is RVWVDIGATJHDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-5-9(3,4)6-14-8(7(2)10)11-12-13-14/h7H,5-6,10H2,1-4H3.
What are the key properties of 1-[1-(2,2-dimethylbutyl)tetrazol-5-yl]ethanamine?
1-[1-(2,2-dimethylbutyl)tetrazol-5-yl]ethanamine has a molecular weight of 197.29 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-dimethylbutyl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103464920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).