1-[1-(3-methylbutan-2-yl)tetrazol-5-yl]ethanamine

C8H17N5 — CID 103085466

IUPAC1-[1-(3-methylbutan-2-yl)tetrazol-5-yl]ethanamine
SMILESCC(N)c1nnnn1C(C)C(C)C
InChIInChI=1S/C8H17N5/c1-5(2)7(4)13-8(6(3)9)10-11-12-13/h5-7H,9H2,1-4H3
InChIKeyJMFTWHRKHRFWRM-UHFFFAOYSA-N
MW183.26 g/mol
LogP0.91
Rot. Bonds3

About 1-[1-(3-methylbutan-2-yl)tetrazol-5-yl]ethanamine

1-[1-(3-methylbutan-2-yl)tetrazol-5-yl]ethanamine (PubChem CID 103085466) has the molecular formula C8H17N5 and a molecular weight of 183.26 g/mol. Its IUPAC name is 1-[1-(3-methylbutan-2-yl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-methylbutan-2-yl)tetrazol-5-yl]ethanamine
PubChem CID103085466
Molecular FormulaC8H17N5
Molecular Weight183.26 g/mol
Exact Mass183.15
IUPAC Name1-[1-(3-methylbutan-2-yl)tetrazol-5-yl]ethanamine
SMILESCC(N)c1nnnn1C(C)C(C)C
InChIInChI=1S/C8H17N5/c1-5(2)7(4)13-8(6(3)9)10-11-12-13/h5-7H,9H2,1-4H3
InChIKeyJMFTWHRKHRFWRM-UHFFFAOYSA-N
XLogP0.91
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methyltetrazol-5-yl)ethanamine
CID 75355753
1-[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]ethanamine
CID 103086342
3-(5-propan-2-yltetrazol-1-yl)butan-2-ol
CID 130734820
N-[[1-(3-methylbutan-2-yl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737264
1-[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]ethanamine
CID 103084802
1-[1-(2,2-dimethylbutyl)tetrazol-5-yl]ethanamine
CID 103464920
1-[1-(5-methylhexyl)tetrazol-5-yl]ethanamine
CID 103086687
1-[1-(4-methylsulfanylbutyl)tetrazol-5-yl]ethanamine
CID 103086948
(1S)-1-(1-methyltetrazol-5-yl)propan-1-amine
CID 59036874
5-[(1R)-1-aminoethyl]-1,2,4-triazole-3,4-diamine
CID 104899966
2-[5-(3-methylbutan-2-yl)tetrazol-1-yl]propanoic acid
CID 66042986
1-[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]ethanamine
CID 103084917

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylbutan-2-yl)tetrazol-5-yl]ethanamine?
The IUPAC name of 1-[1-(3-methylbutan-2-yl)tetrazol-5-yl]ethanamine (CID 103085466) is 1-[1-(3-methylbutan-2-yl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for 1-[1-(3-methylbutan-2-yl)tetrazol-5-yl]ethanamine?
The canonical SMILES for 1-[1-(3-methylbutan-2-yl)tetrazol-5-yl]ethanamine is CC(N)c1nnnn1C(C)C(C)C.
What is the InChIKey of 1-[1-(3-methylbutan-2-yl)tetrazol-5-yl]ethanamine?
The InChIKey is JMFTWHRKHRFWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5/c1-5(2)7(4)13-8(6(3)9)10-11-12-13/h5-7H,9H2,1-4H3.
What are the key properties of 1-[1-(3-methylbutan-2-yl)tetrazol-5-yl]ethanamine?
1-[1-(3-methylbutan-2-yl)tetrazol-5-yl]ethanamine has a molecular weight of 183.26 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylbutan-2-yl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103085466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).