3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propan-1-ol

C15H29NO2 — CID 102900026

IUPAC3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propan-1-ol
SMILESCC(C)N(CCCO)CC1CCC2(CCCC2)O1
InChIInChI=1S/C15H29NO2/c1-13(2)16(10-5-11-17)12-14-6-9-15(18-14)7-3-4-8-15/h13-14,17H,3-12H2,1-2H3
InChIKeyKDUPZTMOCBYRLF-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.57
Rot. Bonds6

About 3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propan-1-ol

3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propan-1-ol (PubChem CID 102900026) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propan-1-ol
PubChem CID102900026
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propan-1-ol
SMILESCC(C)N(CCCO)CC1CCC2(CCCC2)O1
InChIInChI=1S/C15H29NO2/c1-13(2)16(10-5-11-17)12-14-6-9-15(18-14)7-3-4-8-15/h13-14,17H,3-12H2,1-2H3
InChIKeyKDUPZTMOCBYRLF-UHFFFAOYSA-N
XLogP2.57
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propan-1-ol (CID 102900026) is 3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propan-1-ol is CC(C)N(CCCO)CC1CCC2(CCCC2)O1.
What is the InChIKey of 3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propan-1-ol?
The InChIKey is KDUPZTMOCBYRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-13(2)16(10-5-11-17)12-14-6-9-15(18-14)7-3-4-8-15/h13-14,17H,3-12H2,1-2H3.
What are the key properties of 3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propan-1-ol?
3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propan-1-ol has a molecular weight of 255.40 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-oxaspiro[4.4]nonan-2-ylmethyl(propan-2-yl)amino]propan-1-ol is sourced from PubChem (CID 102900026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).