3-methyl-N-[(2-methyltetrazol-5-yl)methyl]but-2-en-1-amine

C8H15N5 — CID 107166974

IUPAC3-methyl-N-[(2-methyltetrazol-5-yl)methyl]but-2-en-1-amine
SMILESCC(C)=CCNCc1nnn(C)n1
InChIInChI=1S/C8H15N5/c1-7(2)4-5-9-6-8-10-12-13(3)11-8/h4,9H,5-6H2,1-3H3
InChIKeyVKZUOCYPSQKSBM-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.27
Rot. Bonds4

About 3-methyl-N-[(2-methyltetrazol-5-yl)methyl]but-2-en-1-amine

3-methyl-N-[(2-methyltetrazol-5-yl)methyl]but-2-en-1-amine (PubChem CID 107166974) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-methyl-N-[(2-methyltetrazol-5-yl)methyl]but-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(2-methyltetrazol-5-yl)methyl]but-2-en-1-amine
PubChem CID107166974
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name3-methyl-N-[(2-methyltetrazol-5-yl)methyl]but-2-en-1-amine
SMILESCC(C)=CCNCc1nnn(C)n1
InChIInChI=1S/C8H15N5/c1-7(2)4-5-9-6-8-10-12-13(3)11-8/h4,9H,5-6H2,1-3H3
InChIKeyVKZUOCYPSQKSBM-UHFFFAOYSA-N
XLogP0.27
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[(2-methyltetrazol-5-yl)methyl]prop-2-en-1-amine
CID 107042685
2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042740
N-methyl-3-[(2-methyltetrazol-5-yl)methylamino]propanamide
CID 107042317
1-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 107042475
2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042638
ethyl 2-[(2-methyltetrazol-5-yl)methylamino]acetate
CID 107042177
N-[(2-methyltetrazol-5-yl)methyl]-2-piperidin-1-ylethanamine
CID 107042293
N-[2-[(2-methyltetrazol-5-yl)methylamino]ethyl]methanesulfonamide
CID 107042158
N-[(2-methyltetrazol-5-yl)methyl]methanesulfonamide
CID 130618771
N-[(2-methyltetrazol-5-yl)methyl]-2-(triazol-1-yl)ethanamine
CID 107042671
2-formamido-3-(2-methyltetrazol-5-yl)propanoic acid
CID 107043216
1-(5-methylfuran-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 107042362

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-methyltetrazol-5-yl)methyl]but-2-en-1-amine?
The IUPAC name of 3-methyl-N-[(2-methyltetrazol-5-yl)methyl]but-2-en-1-amine (CID 107166974) is 3-methyl-N-[(2-methyltetrazol-5-yl)methyl]but-2-en-1-amine.
What is the SMILES notation for 3-methyl-N-[(2-methyltetrazol-5-yl)methyl]but-2-en-1-amine?
The canonical SMILES for 3-methyl-N-[(2-methyltetrazol-5-yl)methyl]but-2-en-1-amine is CC(C)=CCNCc1nnn(C)n1.
What is the InChIKey of 3-methyl-N-[(2-methyltetrazol-5-yl)methyl]but-2-en-1-amine?
The InChIKey is VKZUOCYPSQKSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-7(2)4-5-9-6-8-10-12-13(3)11-8/h4,9H,5-6H2,1-3H3.
What are the key properties of 3-methyl-N-[(2-methyltetrazol-5-yl)methyl]but-2-en-1-amine?
3-methyl-N-[(2-methyltetrazol-5-yl)methyl]but-2-en-1-amine has a molecular weight of 181.24 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-methyltetrazol-5-yl)methyl]but-2-en-1-amine is sourced from PubChem (CID 107166974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).