(E)-N-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine

C8H15N5 — CID 107058710

IUPAC(E)-N-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
SMILESCNCC/C=C/Cc1nnn(C)n1
InChIInChI=1S/C8H15N5/c1-9-7-5-3-4-6-8-10-12-13(2)11-8/h3-4,9H,5-7H2,1-2H3/b4-3+
InChIKeyCHSSKXDDELXSQW-ONEGZZNKSA-N
MW181.24 g/mol
LogP-0.08
Rot. Bonds5

About (E)-N-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine

(E)-N-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine (PubChem CID 107058710) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is (E)-N-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
PubChem CID107058710
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name(E)-N-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
SMILESCNCC/C=C/Cc1nnn(C)n1
InChIInChI=1S/C8H15N5/c1-9-7-5-3-4-6-8-10-12-13(2)11-8/h3-4,9H,5-7H2,1-2H3/b4-3+
InChIKeyCHSSKXDDELXSQW-ONEGZZNKSA-N
XLogP-0.08
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.08
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
The IUPAC name of (E)-N-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine (CID 107058710) is (E)-N-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine.
What is the SMILES notation for (E)-N-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
The canonical SMILES for (E)-N-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine is CNCC/C=C/Cc1nnn(C)n1.
What is the InChIKey of (E)-N-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
The InChIKey is CHSSKXDDELXSQW-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H15N5/c1-9-7-5-3-4-6-8-10-12-13(2)11-8/h3-4,9H,5-7H2,1-2H3/b4-3+.
What are the key properties of (E)-N-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
(E)-N-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine has a molecular weight of 181.24 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine is sourced from PubChem (CID 107058710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).