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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Related Compounds

2-amino-N-[8-(5-phenyltetrazol-2-yl)octyl]acetamide
CID 177376615
2-amino-N-[6-(5-phenyltetrazol-2-yl)hexyl]acetamide
CID 177376609
2-amino-N-[4-(5-phenyltetrazol-2-yl)butyl]acetamide
CID 177376612
N-[2-(5-phenyltetrazol-2-yl)ethyl]propan-2-amine
CID 55070699
6-(5-phenyltetrazol-2-yl)hexan-3-one
CID 104623292
N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 119434349
N',N'-dimethyl-N-[2-(5-phenyltetrazol-2-yl)ethyl]ethane-1,2-diamine
CID 62562414
2-(5-bromopentyl)-5-[3-[2-(5-bromopentyl)tetrazol-5-yl]phenyl]tetrazole
CID 10625565
2-cyano-N-methyl-3-oxo-6-(5-phenyltetrazol-2-yl)hexanamide
CID 56800660
N-ethyl-N-[5-(5-phenyltetrazol-2-yl)pentyl]cyclopentanamine
CID 56550368
4-[5-(4-phenylphenyl)tetrazol-2-yl]butanenitrile
CID 10755867
2-methyl-4-(5-phenyltetrazol-2-yl)butan-2-ol
CID 79173649

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).