N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]ethanamine

C10H20N6 — CID 63149812

IUPACN-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(c2nnnn2C)C1
InChIInChI=1S/C10H20N6/c1-3-11-7-9-5-4-6-16(8-9)10-12-13-14-15(10)2/h9,11H,3-8H2,1-2H3
InChIKeyNEAMYXLSKCIERT-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.04
Rot. Bonds4

About N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]ethanamine

N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]ethanamine (PubChem CID 63149812) has the molecular formula C10H20N6 and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]ethanamine
PubChem CID63149812
Molecular FormulaC10H20N6
Molecular Weight224.31 g/mol
Exact Mass224.17
IUPAC NameN-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(c2nnnn2C)C1
InChIInChI=1S/C10H20N6/c1-3-11-7-9-5-4-6-16(8-9)10-12-13-14-15(10)2/h9,11H,3-8H2,1-2H3
InChIKeyNEAMYXLSKCIERT-UHFFFAOYSA-N
XLogP0.04
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]ethanamine (CID 63149812) is N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]ethanamine is CCNCC1CCCN(c2nnnn2C)C1.
What is the InChIKey of N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]ethanamine?
The InChIKey is NEAMYXLSKCIERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6/c1-3-11-7-9-5-4-6-16(8-9)10-12-13-14-15(10)2/h9,11H,3-8H2,1-2H3.
What are the key properties of N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]ethanamine?
N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]ethanamine has a molecular weight of 224.31 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 63149812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).