N-[(2-methyltetrazol-5-yl)methyl]-2-piperidin-1-ylethanamine

C10H20N6 — CID 107042293

IUPACN-[(2-methyltetrazol-5-yl)methyl]-2-piperidin-1-ylethanamine
SMILESCn1nnc(CNCCN2CCCCC2)n1
InChIInChI=1S/C10H20N6/c1-15-13-10(12-14-15)9-11-5-8-16-6-3-2-4-7-16/h11H,2-9H2,1H3
InChIKeyOYXVJYAXDFCHOV-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.21
Rot. Bonds5

About N-[(2-methyltetrazol-5-yl)methyl]-2-piperidin-1-ylethanamine

N-[(2-methyltetrazol-5-yl)methyl]-2-piperidin-1-ylethanamine (PubChem CID 107042293) has the molecular formula C10H20N6 and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[(2-methyltetrazol-5-yl)methyl]-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(2-methyltetrazol-5-yl)methyl]-2-piperidin-1-ylethanamine
PubChem CID107042293
Molecular FormulaC10H20N6
Molecular Weight224.31 g/mol
Exact Mass224.17
IUPAC NameN-[(2-methyltetrazol-5-yl)methyl]-2-piperidin-1-ylethanamine
SMILESCn1nnc(CNCCN2CCCCC2)n1
InChIInChI=1S/C10H20N6/c1-15-13-10(12-14-15)9-11-5-8-16-6-3-2-4-7-16/h11H,2-9H2,1H3
InChIKeyOYXVJYAXDFCHOV-UHFFFAOYSA-N
XLogP-0.21
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-piperidin-1-ylethanamine
CID 134545182
N-[(2-methyltetrazol-5-yl)methyl]-2-(triazol-1-yl)ethanamine
CID 107042671
N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 62743808
N-[2-[(2-methyltetrazol-5-yl)methylamino]ethyl]methanesulfonamide
CID 107042158
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
1-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 107042475
N-methyl-3-[(2-methyltetrazol-5-yl)methylamino]propanamide
CID 107042317
2-(1-methyl-1,2,4-triazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 107911766
N-[(1-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 78920944
2-pyrrolidin-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 28654112
2-(azepan-1-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 112549234
2-(azepan-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 62475138

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyltetrazol-5-yl)methyl]-2-piperidin-1-ylethanamine?
The IUPAC name of N-[(2-methyltetrazol-5-yl)methyl]-2-piperidin-1-ylethanamine (CID 107042293) is N-[(2-methyltetrazol-5-yl)methyl]-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-[(2-methyltetrazol-5-yl)methyl]-2-piperidin-1-ylethanamine?
The canonical SMILES for N-[(2-methyltetrazol-5-yl)methyl]-2-piperidin-1-ylethanamine is Cn1nnc(CNCCN2CCCCC2)n1.
What is the InChIKey of N-[(2-methyltetrazol-5-yl)methyl]-2-piperidin-1-ylethanamine?
The InChIKey is OYXVJYAXDFCHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6/c1-15-13-10(12-14-15)9-11-5-8-16-6-3-2-4-7-16/h11H,2-9H2,1H3.
What are the key properties of N-[(2-methyltetrazol-5-yl)methyl]-2-piperidin-1-ylethanamine?
N-[(2-methyltetrazol-5-yl)methyl]-2-piperidin-1-ylethanamine has a molecular weight of 224.31 g/mol, XLogP of -0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyltetrazol-5-yl)methyl]-2-piperidin-1-ylethanamine is sourced from PubChem (CID 107042293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).