4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]morpholine

C15H27N5O — CID 646478

IUPAC4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]morpholine
SMILESCC(C)C(c1nnnn1C1CCCCC1)N1CCOCC1
InChIInChI=1S/C15H27N5O/c1-12(2)14(19-8-10-21-11-9-19)15-16-17-18-20(15)13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3
InChIKeyJBRDQHQZPMLKQH-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.21
Rot. Bonds4

About 4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]morpholine

4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]morpholine (PubChem CID 646478) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]morpholine.

Molecular Properties

Compound Name4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]morpholine
PubChem CID646478
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]morpholine
SMILESCC(C)C(c1nnnn1C1CCCCC1)N1CCOCC1
InChIInChI=1S/C15H27N5O/c1-12(2)14(19-8-10-21-11-9-19)15-16-17-18-20(15)13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3
InChIKeyJBRDQHQZPMLKQH-UHFFFAOYSA-N
XLogP2.21
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]morpholine?
The IUPAC name of 4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]morpholine (CID 646478) is 4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]morpholine.
What is the SMILES notation for 4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]morpholine?
The canonical SMILES for 4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]morpholine is CC(C)C(c1nnnn1C1CCCCC1)N1CCOCC1.
What is the InChIKey of 4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]morpholine?
The InChIKey is JBRDQHQZPMLKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-12(2)14(19-8-10-21-11-9-19)15-16-17-18-20(15)13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]morpholine?
4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]morpholine has a molecular weight of 293.42 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]morpholine is sourced from PubChem (CID 646478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).