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

C12H23N5O2 — CID 648013

IUPAC4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine
SMILESCOCCn1nnnc1C(C(C)C)N1CCOCC1
InChIInChI=1S/C12H23N5O2/c1-10(2)11(16-4-8-19-9-5-16)12-13-14-15-17(12)6-7-18-3/h10-11H,4-9H2,1-3H3
InChIKeyCTAYHTVWUHEJKS-UHFFFAOYSA-N
MW269.35 g/mol
LogP0.35
Rot. Bonds6

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

4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine (PubChem CID 648013) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine.

Molecular Properties

Compound Name4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine
PubChem CID648013
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine
SMILESCOCCn1nnnc1C(C(C)C)N1CCOCC1
InChIInChI=1S/C12H23N5O2/c1-10(2)11(16-4-8-19-9-5-16)12-13-14-15-17(12)6-7-18-3/h10-11H,4-9H2,1-3H3
InChIKeyCTAYHTVWUHEJKS-UHFFFAOYSA-N
XLogP0.35
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine?
The IUPAC name of 4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine (CID 648013) is 4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine.
What is the SMILES notation for 4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine?
The canonical SMILES for 4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine is COCCn1nnnc1C(C(C)C)N1CCOCC1.
What is the InChIKey of 4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine?
The InChIKey is CTAYHTVWUHEJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-10(2)11(16-4-8-19-9-5-16)12-13-14-15-17(12)6-7-18-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine?
4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine has a molecular weight of 269.35 g/mol, XLogP of 0.35, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine is sourced from PubChem (CID 648013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).