2-methyl-1-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-2-ol

C16H28N4O2 — CID 134074012

IUPAC2-methyl-1-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-2-ol
SMILESCn1ccnc1NC1COC2(CCN(CC(C)(C)O)CC2)C1
InChIInChI=1S/C16H28N4O2/c1-15(2,21)12-20-7-4-16(5-8-20)10-13(11-22-16)18-14-17-6-9-19(14)3/h6,9,13,21H,4-5,7-8,10-12H2,1-3H3,(H,17,18)
InChIKeyJSNWPFZRYVDBDR-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.23
Rot. Bonds4

About 2-methyl-1-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-2-ol

2-methyl-1-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-2-ol (PubChem CID 134074012) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-methyl-1-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-2-ol
PubChem CID134074012
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name2-methyl-1-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-2-ol
SMILESCn1ccnc1NC1COC2(CCN(CC(C)(C)O)CC2)C1
InChIInChI=1S/C16H28N4O2/c1-15(2,21)12-20-7-4-16(5-8-20)10-13(11-22-16)18-14-17-6-9-19(14)3/h6,9,13,21H,4-5,7-8,10-12H2,1-3H3,(H,17,18)
InChIKeyJSNWPFZRYVDBDR-UHFFFAOYSA-N
XLogP1.23
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-2-ol (CID 134074012) is 2-methyl-1-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-2-ol is Cn1ccnc1NC1COC2(CCN(CC(C)(C)O)CC2)C1.
What is the InChIKey of 2-methyl-1-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-2-ol?
The InChIKey is JSNWPFZRYVDBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-15(2,21)12-20-7-4-16(5-8-20)10-13(11-22-16)18-14-17-6-9-19(14)3/h6,9,13,21H,4-5,7-8,10-12H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-1-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-2-ol?
2-methyl-1-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-2-ol has a molecular weight of 308.43 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[(1-methylimidazol-2-yl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-2-ol is sourced from PubChem (CID 134074012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).