N-(oxolan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)ethanamine

C14H19N5O — CID 62563641

IUPACN-(oxolan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)ethanamine
SMILESc1ccc(-c2nnn(CCNCC3CCCO3)n2)cc1
InChIInChI=1S/C14H19N5O/c1-2-5-12(6-3-1)14-16-18-19(17-14)9-8-15-11-13-7-4-10-20-13/h1-3,5-6,13,15H,4,7-11H2
InChIKeyRJOAYTYKBWTTMS-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.11
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)ethanamine

N-(oxolan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)ethanamine (PubChem CID 62563641) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)ethanamine
PubChem CID62563641
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-(oxolan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)ethanamine
SMILESc1ccc(-c2nnn(CCNCC3CCCO3)n2)cc1
InChIInChI=1S/C14H19N5O/c1-2-5-12(6-3-1)14-16-18-19(17-14)9-8-15-11-13-7-4-10-20-13/h1-3,5-6,13,15H,4,7-11H2
InChIKeyRJOAYTYKBWTTMS-UHFFFAOYSA-N
XLogP1.11
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(oxolan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-phenyltetrazol-2-yl)propyl 3-[(2S)-oxolan-2-yl]propanoate
CID 95174707
2-methyl-N-[2-(5-phenyltetrazol-2-yl)ethyl]cyclohexan-1-amine
CID 62563466
N-[2-(5-phenyltetrazol-2-yl)ethyl]propan-2-amine
CID 55070699
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7713076
5-(3-methoxyphenyl)-2-[2-[(2S)-oxolan-2-yl]ethyl]tetrazole
CID 99826482
2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one
CID 62848753
N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124814533
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 63503992
6-methyl-2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one
CID 55156072
N-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine
CID 8001539
[(2S)-oxolan-2-yl]-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]methanone
CID 52525383
4-fluoro-N-[2-(5-phenyltetrazol-2-yl)ethyl]aniline
CID 62563128

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)ethanamine?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)ethanamine (CID 62563641) is N-(oxolan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)ethanamine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)ethanamine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)ethanamine is c1ccc(-c2nnn(CCNCC3CCCO3)n2)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)ethanamine?
The InChIKey is RJOAYTYKBWTTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-5-12(6-3-1)14-16-18-19(17-14)9-8-15-11-13-7-4-10-20-13/h1-3,5-6,13,15H,4,7-11H2.
What are the key properties of N-(oxolan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)ethanamine?
N-(oxolan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)ethanamine has a molecular weight of 273.34 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(5-phenyltetrazol-2-yl)ethanamine is sourced from PubChem (CID 62563641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).