(6R,7R)-7-[(1-cyclobutyltriazol-4-yl)methylamino]-2-methyl-3-propan-2-yl-2-azaspiro[3.4]octan-6-ol

C18H31N5O — CID 154767507

IUPAC(6R,7R)-7-[(1-cyclobutyltriazol-4-yl)methylamino]-2-methyl-3-propan-2-yl-2-azaspiro[3.4]octan-6-ol
SMILESCC(C)C1N(C)CC12C[C@@H](O)[C@H](NCc1cn(C3CCC3)nn1)C2
InChIInChI=1S/C18H31N5O/c1-12(2)17-18(11-22(17)3)7-15(16(24)8-18)19-9-13-10-23(21-20-13)14-5-4-6-14/h10,12,14-17,19,24H,4-9,11H2,1-3H3/t15-,16-,17?,18?/m1/s1
InChIKeyIXXALYGIHRZJHM-MRLCAUJQSA-N
MW333.48 g/mol
LogP1.57
Rot. Bonds5

About (6R,7R)-7-[(1-cyclobutyltriazol-4-yl)methylamino]-2-methyl-3-propan-2-yl-2-azaspiro[3.4]octan-6-ol

(6R,7R)-7-[(1-cyclobutyltriazol-4-yl)methylamino]-2-methyl-3-propan-2-yl-2-azaspiro[3.4]octan-6-ol (PubChem CID 154767507) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is (6R,7R)-7-[(1-cyclobutyltriazol-4-yl)methylamino]-2-methyl-3-propan-2-yl-2-azaspiro[3.4]octan-6-ol.

Molecular Properties

Compound Name(6R,7R)-7-[(1-cyclobutyltriazol-4-yl)methylamino]-2-methyl-3-propan-2-yl-2-azaspiro[3.4]octan-6-ol
PubChem CID154767507
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name(6R,7R)-7-[(1-cyclobutyltriazol-4-yl)methylamino]-2-methyl-3-propan-2-yl-2-azaspiro[3.4]octan-6-ol
SMILESCC(C)C1N(C)CC12C[C@@H](O)[C@H](NCc1cn(C3CCC3)nn1)C2
InChIInChI=1S/C18H31N5O/c1-12(2)17-18(11-22(17)3)7-15(16(24)8-18)19-9-13-10-23(21-20-13)14-5-4-6-14/h10,12,14-17,19,24H,4-9,11H2,1-3H3/t15-,16-,17?,18?/m1/s1
InChIKeyIXXALYGIHRZJHM-MRLCAUJQSA-N
XLogP1.57
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6R,7R)-7-[(1-cyclobutyltriazol-4-yl)methylamino]-2-methyl-3-propan-2-yl-2-azaspiro[3.4]octan-6-ol?
The IUPAC name of (6R,7R)-7-[(1-cyclobutyltriazol-4-yl)methylamino]-2-methyl-3-propan-2-yl-2-azaspiro[3.4]octan-6-ol (CID 154767507) is (6R,7R)-7-[(1-cyclobutyltriazol-4-yl)methylamino]-2-methyl-3-propan-2-yl-2-azaspiro[3.4]octan-6-ol.
What is the SMILES notation for (6R,7R)-7-[(1-cyclobutyltriazol-4-yl)methylamino]-2-methyl-3-propan-2-yl-2-azaspiro[3.4]octan-6-ol?
The canonical SMILES for (6R,7R)-7-[(1-cyclobutyltriazol-4-yl)methylamino]-2-methyl-3-propan-2-yl-2-azaspiro[3.4]octan-6-ol is CC(C)C1N(C)CC12C[C@@H](O)[C@H](NCc1cn(C3CCC3)nn1)C2.
What is the InChIKey of (6R,7R)-7-[(1-cyclobutyltriazol-4-yl)methylamino]-2-methyl-3-propan-2-yl-2-azaspiro[3.4]octan-6-ol?
The InChIKey is IXXALYGIHRZJHM-MRLCAUJQSA-N. The full InChI is InChI=1S/C18H31N5O/c1-12(2)17-18(11-22(17)3)7-15(16(24)8-18)19-9-13-10-23(21-20-13)14-5-4-6-14/h10,12,14-17,19,24H,4-9,11H2,1-3H3/t15-,16-,17?,18?/m1/s1.
What are the key properties of (6R,7R)-7-[(1-cyclobutyltriazol-4-yl)methylamino]-2-methyl-3-propan-2-yl-2-azaspiro[3.4]octan-6-ol?
(6R,7R)-7-[(1-cyclobutyltriazol-4-yl)methylamino]-2-methyl-3-propan-2-yl-2-azaspiro[3.4]octan-6-ol has a molecular weight of 333.48 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-7-[(1-cyclobutyltriazol-4-yl)methylamino]-2-methyl-3-propan-2-yl-2-azaspiro[3.4]octan-6-ol is sourced from PubChem (CID 154767507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).