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

C10H19N5 — CID 107058717

IUPAC(E)-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCC/C=C/Cc1nnn(C)n1
InChIInChI=1S/C10H19N5/c1-3-8-11-9-6-4-5-7-10-12-14-15(2)13-10/h4-5,11H,3,6-9H2,1-2H3/b5-4+
InChIKeyYHZUZYKKYOKDJL-SNAWJCMRSA-N
MW209.30 g/mol
LogP0.70
Rot. Bonds7

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

(E)-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine (PubChem CID 107058717) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is (E)-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name(E)-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine
PubChem CID107058717
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name(E)-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCC/C=C/Cc1nnn(C)n1
InChIInChI=1S/C10H19N5/c1-3-8-11-9-6-4-5-7-10-12-14-15(2)13-10/h4-5,11H,3,6-9H2,1-2H3/b5-4+
InChIKeyYHZUZYKKYOKDJL-SNAWJCMRSA-N
XLogP0.70
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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 (E)-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine?
The IUPAC name of (E)-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine (CID 107058717) is (E)-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine.
What is the SMILES notation for (E)-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine?
The canonical SMILES for (E)-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine is CCCNCC/C=C/Cc1nnn(C)n1.
What is the InChIKey of (E)-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine?
The InChIKey is YHZUZYKKYOKDJL-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H19N5/c1-3-8-11-9-6-4-5-7-10-12-14-15(2)13-10/h4-5,11H,3,6-9H2,1-2H3/b5-4+.
What are the key properties of (E)-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine?
(E)-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine has a molecular weight of 209.30 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine is sourced from PubChem (CID 107058717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).