N-methyl-5-(5-phenyltetrazol-2-yl)pentan-1-amine

C13H19N5 — CID 62447153

IUPACN-methyl-5-(5-phenyltetrazol-2-yl)pentan-1-amine
SMILESCNCCCCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C13H19N5/c1-14-10-6-3-7-11-18-16-13(15-17-18)12-8-4-2-5-9-12/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3
InChIKeyZDHWENKORGFWFV-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.73
Rot. Bonds7

About N-methyl-5-(5-phenyltetrazol-2-yl)pentan-1-amine

N-methyl-5-(5-phenyltetrazol-2-yl)pentan-1-amine (PubChem CID 62447153) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-methyl-5-(5-phenyltetrazol-2-yl)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-5-(5-phenyltetrazol-2-yl)pentan-1-amine
PubChem CID62447153
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-methyl-5-(5-phenyltetrazol-2-yl)pentan-1-amine
SMILESCNCCCCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C13H19N5/c1-14-10-6-3-7-11-18-16-13(15-17-18)12-8-4-2-5-9-12/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3
InChIKeyZDHWENKORGFWFV-UHFFFAOYSA-N
XLogP1.73
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(5-phenyltetrazol-2-yl)pentan-1-amine?
The IUPAC name of N-methyl-5-(5-phenyltetrazol-2-yl)pentan-1-amine (CID 62447153) is N-methyl-5-(5-phenyltetrazol-2-yl)pentan-1-amine.
What is the SMILES notation for N-methyl-5-(5-phenyltetrazol-2-yl)pentan-1-amine?
The canonical SMILES for N-methyl-5-(5-phenyltetrazol-2-yl)pentan-1-amine is CNCCCCCn1nnc(-c2ccccc2)n1.
What is the InChIKey of N-methyl-5-(5-phenyltetrazol-2-yl)pentan-1-amine?
The InChIKey is ZDHWENKORGFWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-14-10-6-3-7-11-18-16-13(15-17-18)12-8-4-2-5-9-12/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3.
What are the key properties of N-methyl-5-(5-phenyltetrazol-2-yl)pentan-1-amine?
N-methyl-5-(5-phenyltetrazol-2-yl)pentan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(5-phenyltetrazol-2-yl)pentan-1-amine is sourced from PubChem (CID 62447153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).