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

C11H22N6 — CID 107043580

IUPACN-[[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1Cc1nnn(C)n1
InChIInChI=1S/C11H22N6/c1-3-12-8-10-6-4-5-7-17(10)9-11-13-15-16(2)14-11/h10,12H,3-9H2,1-2H3
InChIKeyQUFXNBJWLAGHLE-UHFFFAOYSA-N
MW238.34 g/mol
LogP0.17
Rot. Bonds5

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

N-[[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]ethanamine (PubChem CID 107043580) has the molecular formula C11H22N6 and a molecular weight of 238.34 g/mol. Its IUPAC name is N-[[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]ethanamine
PubChem CID107043580
Molecular FormulaC11H22N6
Molecular Weight238.34 g/mol
Exact Mass238.19
IUPAC NameN-[[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1Cc1nnn(C)n1
InChIInChI=1S/C11H22N6/c1-3-12-8-10-6-4-5-7-17(10)9-11-13-15-16(2)14-11/h10,12H,3-9H2,1-2H3
InChIKeyQUFXNBJWLAGHLE-UHFFFAOYSA-N
XLogP0.17
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 107043572
[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 107052540
N-[[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]ethanamine
CID 82867061
1-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carbonitrile
CID 107042905
1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]ethanamine
CID 107040723
N,N-diethyl-2-[2-(ethylaminomethyl)piperidin-1-yl]ethanamine
CID 63847288
N-[[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]ethanamine
CID 64784941
N-[[1-[(4-bromophenyl)methyl]piperidin-2-yl]methyl]ethanamine
CID 55220031
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 62582196
N-[[1-(2-pyrazol-1-ylethyl)piperidin-2-yl]methyl]ethanamine
CID 55220183
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
CID 55092410
N-[[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methyl]ethanamine
CID 63847833

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]ethanamine (CID 107043580) is N-[[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]ethanamine is CCNCC1CCCCN1Cc1nnn(C)n1.
What is the InChIKey of N-[[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]ethanamine?
The InChIKey is QUFXNBJWLAGHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6/c1-3-12-8-10-6-4-5-7-17(10)9-11-13-15-16(2)14-11/h10,12H,3-9H2,1-2H3.
What are the key properties of N-[[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]ethanamine?
N-[[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]ethanamine has a molecular weight of 238.34 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 107043580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).