methyl 2-[1-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]acetate

C14H23N5O2 — CID 71919378

IUPACmethyl 2-[1-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]acetate
SMILESCOC(=O)CC1(NCc2nnnn2C2CC2)CCCCC1
InChIInChI=1S/C14H23N5O2/c1-21-13(20)9-14(7-3-2-4-8-14)15-10-12-16-17-18-19(12)11-5-6-11/h11,15H,2-10H2,1H3
InChIKeyZUEJCOMWGDRGRC-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.36
Rot. Bonds6

About methyl 2-[1-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]acetate

methyl 2-[1-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]acetate (PubChem CID 71919378) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 2-[1-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]acetate
PubChem CID71919378
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Namemethyl 2-[1-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]acetate
SMILESCOC(=O)CC1(NCc2nnnn2C2CC2)CCCCC1
InChIInChI=1S/C14H23N5O2/c1-21-13(20)9-14(7-3-2-4-8-14)15-10-12-16-17-18-19(12)11-5-6-11/h11,15H,2-10H2,1H3
InChIKeyZUEJCOMWGDRGRC-UHFFFAOYSA-N
XLogP1.36
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]acetate?
The IUPAC name of methyl 2-[1-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]acetate (CID 71919378) is methyl 2-[1-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]acetate.
What is the SMILES notation for methyl 2-[1-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]acetate?
The canonical SMILES for methyl 2-[1-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]acetate is COC(=O)CC1(NCc2nnnn2C2CC2)CCCCC1.
What is the InChIKey of methyl 2-[1-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]acetate?
The InChIKey is ZUEJCOMWGDRGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-21-13(20)9-14(7-3-2-4-8-14)15-10-12-16-17-18-19(12)11-5-6-11/h11,15H,2-10H2,1H3.
What are the key properties of methyl 2-[1-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]acetate?
methyl 2-[1-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]acetate has a molecular weight of 293.37 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]acetate is sourced from PubChem (CID 71919378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).