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

C8H15N5 — CID 107050922

IUPACN-methyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine
SMILESC=CCC(Cc1nnn(C)n1)NC
InChIInChI=1S/C8H15N5/c1-4-5-7(9-2)6-8-10-12-13(3)11-8/h4,7,9H,1,5-6H2,2-3H3
InChIKeyPISRIMZVDFGCPU-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.08
Rot. Bonds5

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

N-methyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine (PubChem CID 107050922) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is N-methyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine
PubChem CID107050922
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC NameN-methyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine
SMILESC=CCC(Cc1nnn(C)n1)NC
InChIInChI=1S/C8H15N5/c1-4-5-7(9-2)6-8-10-12-13(3)11-8/h4,7,9H,1,5-6H2,2-3H3
InChIKeyPISRIMZVDFGCPU-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine?
The IUPAC name of N-methyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine (CID 107050922) is N-methyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine.
What is the SMILES notation for N-methyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine?
The canonical SMILES for N-methyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine is C=CCC(Cc1nnn(C)n1)NC.
What is the InChIKey of N-methyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine?
The InChIKey is PISRIMZVDFGCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-4-5-7(9-2)6-8-10-12-13(3)11-8/h4,7,9H,1,5-6H2,2-3H3.
What are the key properties of N-methyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine?
N-methyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-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 N-methyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine is sourced from PubChem (CID 107050922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).