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

C14H25N5O — CID 3173825

IUPAC4-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]morpholine
SMILESCC(C)C(c1nnnn1C1CCCC1)N1CCOCC1
InChIInChI=1S/C14H25N5O/c1-11(2)13(18-7-9-20-10-8-18)14-15-16-17-19(14)12-5-3-4-6-12/h11-13H,3-10H2,1-2H3
InChIKeyBCHUUNUJBSSJDN-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.82
Rot. Bonds4

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

4-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]morpholine (PubChem CID 3173825) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]morpholine.

Molecular Properties

Compound Name4-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]morpholine
PubChem CID3173825
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name4-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]morpholine
SMILESCC(C)C(c1nnnn1C1CCCC1)N1CCOCC1
InChIInChI=1S/C14H25N5O/c1-11(2)13(18-7-9-20-10-8-18)14-15-16-17-19(14)12-5-3-4-6-12/h11-13H,3-10H2,1-2H3
InChIKeyBCHUUNUJBSSJDN-UHFFFAOYSA-N
XLogP1.82
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]morpholine?
The IUPAC name of 4-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]morpholine (CID 3173825) is 4-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]morpholine.
What is the SMILES notation for 4-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]morpholine?
The canonical SMILES for 4-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]morpholine is CC(C)C(c1nnnn1C1CCCC1)N1CCOCC1.
What is the InChIKey of 4-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]morpholine?
The InChIKey is BCHUUNUJBSSJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-11(2)13(18-7-9-20-10-8-18)14-15-16-17-19(14)12-5-3-4-6-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 4-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]morpholine?
4-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]morpholine has a molecular weight of 279.39 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]morpholine is sourced from PubChem (CID 3173825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).