(Z)-N-ethyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine

C10H19N5 — CID 107058738

IUPAC(Z)-N-ethyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
SMILESCCNCC/C=C(/C)Cc1nnn(C)n1
InChIInChI=1S/C10H19N5/c1-4-11-7-5-6-9(2)8-10-12-14-15(3)13-10/h6,11H,4-5,7-8H2,1-3H3/b9-6-
InChIKeyIJKMIIHDKCOXBQ-TWGQIWQCSA-N
MW209.30 g/mol
LogP0.70
Rot. Bonds6

About (Z)-N-ethyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine

(Z)-N-ethyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine (PubChem CID 107058738) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is (Z)-N-ethyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
PubChem CID107058738
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name(Z)-N-ethyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
SMILESCCNCC/C=C(/C)Cc1nnn(C)n1
InChIInChI=1S/C10H19N5/c1-4-11-7-5-6-9(2)8-10-12-14-15(3)13-10/h6,11H,4-5,7-8H2,1-3H3/b9-6-
InChIKeyIJKMIIHDKCOXBQ-TWGQIWQCSA-N
XLogP0.70
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.70
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 (Z)-N-ethyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
The IUPAC name of (Z)-N-ethyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine (CID 107058738) is (Z)-N-ethyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine.
What is the SMILES notation for (Z)-N-ethyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
The canonical SMILES for (Z)-N-ethyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine is CCNCC/C=C(/C)Cc1nnn(C)n1.
What is the InChIKey of (Z)-N-ethyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
The InChIKey is IJKMIIHDKCOXBQ-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H19N5/c1-4-11-7-5-6-9(2)8-10-12-14-15(3)13-10/h6,11H,4-5,7-8H2,1-3H3/b9-6-.
What are the key properties of (Z)-N-ethyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
(Z)-N-ethyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine has a molecular weight of 209.30 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine is sourced from PubChem (CID 107058738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).