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

C8H15N5 — CID 107053614

IUPAC2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine
SMILESC=CC(C)(CN)Cc1nnn(C)n1
InChIInChI=1S/C8H15N5/c1-4-8(2,6-9)5-7-10-12-13(3)11-7/h4H,1,5-6,9H2,2-3H3
InChIKeyDNEZHSWRHAUOTO-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.10
Rot. Bonds4

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

2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine (PubChem CID 107053614) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine
PubChem CID107053614
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine
SMILESC=CC(C)(CN)Cc1nnn(C)n1
InChIInChI=1S/C8H15N5/c1-4-8(2,6-9)5-7-10-12-13(3)11-7/h4H,1,5-6,9H2,2-3H3
InChIKeyDNEZHSWRHAUOTO-UHFFFAOYSA-N
XLogP-0.10
TPSA69.62 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 ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine?
The IUPAC name of 2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine (CID 107053614) is 2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine.
What is the SMILES notation for 2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine?
The canonical SMILES for 2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine is C=CC(C)(CN)Cc1nnn(C)n1.
What is the InChIKey of 2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine?
The InChIKey is DNEZHSWRHAUOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-4-8(2,6-9)5-7-10-12-13(3)11-7/h4H,1,5-6,9H2,2-3H3.
What are the key properties of 2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine?
2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine has a molecular weight of 181.24 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine is sourced from PubChem (CID 107053614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).