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

C8H15N5 — CID 107042686

IUPAC(E)-N-[(2-methyltetrazol-5-yl)methyl]pent-3-en-1-amine
SMILESC/C=C/CCNCc1nnn(C)n1
InChIInChI=1S/C8H15N5/c1-3-4-5-6-9-7-8-10-12-13(2)11-8/h3-4,9H,5-7H2,1-2H3/b4-3+
InChIKeyGMVTVSNYEIWPBI-ONEGZZNKSA-N
MW181.24 g/mol
LogP0.27
Rot. Bonds5

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

(E)-N-[(2-methyltetrazol-5-yl)methyl]pent-3-en-1-amine (PubChem CID 107042686) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is (E)-N-[(2-methyltetrazol-5-yl)methyl]pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(2-methyltetrazol-5-yl)methyl]pent-3-en-1-amine
PubChem CID107042686
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name(E)-N-[(2-methyltetrazol-5-yl)methyl]pent-3-en-1-amine
SMILESC/C=C/CCNCc1nnn(C)n1
InChIInChI=1S/C8H15N5/c1-3-4-5-6-9-7-8-10-12-13(2)11-8/h3-4,9H,5-7H2,1-2H3/b4-3+
InChIKeyGMVTVSNYEIWPBI-ONEGZZNKSA-N
XLogP0.27
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 ≤ 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

5-[(2R)-4-fluoro-2,5-dihydro-1H-pyrrol-2-yl]-2-methyltetrazole
CID 174688845
6-(2-Prop-2-ynyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine
CID 19612519
N-[(2-methyltetrazol-5-yl)methyl]prop-2-en-1-amine
CID 107041965
N-[(2-methyltetrazol-5-yl)methyl]cyclohex-3-en-1-amine
CID 107042495
N-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine
CID 107042687
N-[(2-methyltetrazol-5-yl)methyl]pent-4-en-2-amine
CID 107042689
N-[(2-methyltetrazol-5-yl)methyl]cyclopent-3-en-1-amine
CID 107042696
N-[(2-methyltetrazol-5-yl)methyl]but-3-en-2-amine
CID 107042705
(E)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
CID 107058707
(E)-N-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
CID 107058710
(E)-N-ethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
CID 107058714
(E)-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine
CID 107058717

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-methyltetrazol-5-yl)methyl]pent-3-en-1-amine?
The IUPAC name of (E)-N-[(2-methyltetrazol-5-yl)methyl]pent-3-en-1-amine (CID 107042686) is (E)-N-[(2-methyltetrazol-5-yl)methyl]pent-3-en-1-amine.
What is the SMILES notation for (E)-N-[(2-methyltetrazol-5-yl)methyl]pent-3-en-1-amine?
The canonical SMILES for (E)-N-[(2-methyltetrazol-5-yl)methyl]pent-3-en-1-amine is C/C=C/CCNCc1nnn(C)n1.
What is the InChIKey of (E)-N-[(2-methyltetrazol-5-yl)methyl]pent-3-en-1-amine?
The InChIKey is GMVTVSNYEIWPBI-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H15N5/c1-3-4-5-6-9-7-8-10-12-13(2)11-8/h3-4,9H,5-7H2,1-2H3/b4-3+.
What are the key properties of (E)-N-[(2-methyltetrazol-5-yl)methyl]pent-3-en-1-amine?
(E)-N-[(2-methyltetrazol-5-yl)methyl]pent-3-en-1-amine has a molecular weight of 181.24 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-methyltetrazol-5-yl)methyl]pent-3-en-1-amine is sourced from PubChem (CID 107042686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).