N-[(1-cyclohexyltetrazol-5-yl)methyl]ethanamine;hydrochloride

C10H20ClN5 — CID 3031887

IUPACN-[(1-cyclohexyltetrazol-5-yl)methyl]ethanamine;hydrochloride
SMILESCCNCc1nnnn1C1CCCCC1.Cl
InChIInChI=1S/C10H19N5.ClH/c1-2-11-8-10-12-13-14-15(10)9-6-4-3-5-7-9;/h9,11H,2-8H2,1H3;1H
InChIKeyYQACRVKTIFSZIN-UHFFFAOYSA-N
MW245.76 g/mol
LogP1.71
Rot. Bonds4

About N-[(1-cyclohexyltetrazol-5-yl)methyl]ethanamine;hydrochloride

N-[(1-cyclohexyltetrazol-5-yl)methyl]ethanamine;hydrochloride (PubChem CID 3031887) has the molecular formula C10H20ClN5 and a molecular weight of 245.76 g/mol. Its IUPAC name is N-[(1-cyclohexyltetrazol-5-yl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1-cyclohexyltetrazol-5-yl)methyl]ethanamine;hydrochloride
PubChem CID3031887
Molecular FormulaC10H20ClN5
Molecular Weight245.76 g/mol
Exact Mass245.14
IUPAC NameN-[(1-cyclohexyltetrazol-5-yl)methyl]ethanamine;hydrochloride
SMILESCCNCc1nnnn1C1CCCCC1.Cl
InChIInChI=1S/C10H19N5.ClH/c1-2-11-8-10-12-13-14-15(10)9-6-4-3-5-7-9;/h9,11H,2-8H2,1H3;1H
InChIKeyYQACRVKTIFSZIN-UHFFFAOYSA-N
XLogP1.71
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.76
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexyltetrazol-5-yl)methyl]ethanamine;hydrochloride?
The IUPAC name of N-[(1-cyclohexyltetrazol-5-yl)methyl]ethanamine;hydrochloride (CID 3031887) is N-[(1-cyclohexyltetrazol-5-yl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[(1-cyclohexyltetrazol-5-yl)methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[(1-cyclohexyltetrazol-5-yl)methyl]ethanamine;hydrochloride is CCNCc1nnnn1C1CCCCC1.Cl.
What is the InChIKey of N-[(1-cyclohexyltetrazol-5-yl)methyl]ethanamine;hydrochloride?
The InChIKey is YQACRVKTIFSZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5.ClH/c1-2-11-8-10-12-13-14-15(10)9-6-4-3-5-7-9;/h9,11H,2-8H2,1H3;1H.
What are the key properties of N-[(1-cyclohexyltetrazol-5-yl)methyl]ethanamine;hydrochloride?
N-[(1-cyclohexyltetrazol-5-yl)methyl]ethanamine;hydrochloride has a molecular weight of 245.76 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexyltetrazol-5-yl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 3031887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).