[1-[(2-methyltetrazol-5-yl)methoxy]cyclohexyl]methanamine

C10H19N5O — CID 107040795

IUPAC[1-[(2-methyltetrazol-5-yl)methoxy]cyclohexyl]methanamine
SMILESCn1nnc(COC2(CN)CCCCC2)n1
InChIInChI=1S/C10H19N5O/c1-15-13-9(12-14-15)7-16-10(8-11)5-3-2-4-6-10/h2-8,11H2,1H3
InChIKeyNGCJRHWQWJRARL-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.39
Rot. Bonds4

About [1-[(2-methyltetrazol-5-yl)methoxy]cyclohexyl]methanamine

[1-[(2-methyltetrazol-5-yl)methoxy]cyclohexyl]methanamine (PubChem CID 107040795) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is [1-[(2-methyltetrazol-5-yl)methoxy]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(2-methyltetrazol-5-yl)methoxy]cyclohexyl]methanamine
PubChem CID107040795
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name[1-[(2-methyltetrazol-5-yl)methoxy]cyclohexyl]methanamine
SMILESCn1nnc(COC2(CN)CCCCC2)n1
InChIInChI=1S/C10H19N5O/c1-15-13-9(12-14-15)7-16-10(8-11)5-3-2-4-6-10/h2-8,11H2,1H3
InChIKeyNGCJRHWQWJRARL-UHFFFAOYSA-N
XLogP0.39
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-methyltetrazol-5-yl)methoxy]cyclohexyl]methanamine?
The IUPAC name of [1-[(2-methyltetrazol-5-yl)methoxy]cyclohexyl]methanamine (CID 107040795) is [1-[(2-methyltetrazol-5-yl)methoxy]cyclohexyl]methanamine.
What is the SMILES notation for [1-[(2-methyltetrazol-5-yl)methoxy]cyclohexyl]methanamine?
The canonical SMILES for [1-[(2-methyltetrazol-5-yl)methoxy]cyclohexyl]methanamine is Cn1nnc(COC2(CN)CCCCC2)n1.
What is the InChIKey of [1-[(2-methyltetrazol-5-yl)methoxy]cyclohexyl]methanamine?
The InChIKey is NGCJRHWQWJRARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-15-13-9(12-14-15)7-16-10(8-11)5-3-2-4-6-10/h2-8,11H2,1H3.
What are the key properties of [1-[(2-methyltetrazol-5-yl)methoxy]cyclohexyl]methanamine?
[1-[(2-methyltetrazol-5-yl)methoxy]cyclohexyl]methanamine has a molecular weight of 225.30 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methyltetrazol-5-yl)methoxy]cyclohexyl]methanamine is sourced from PubChem (CID 107040795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).