3-[[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]methyl]pyrrolidin-3-ol

C16H30N2O2 — CID 114761198

IUPAC3-[[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]methyl]pyrrolidin-3-ol
SMILESCN(CC1(O)CCNC1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-18(13-15(19)8-9-17-12-15)14-5-10-20-16(11-14)6-3-2-4-7-16/h14,17,19H,2-13H2,1H3
InChIKeyWSXUIRVKKDRDNG-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.52
Rot. Bonds3

About 3-[[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]methyl]pyrrolidin-3-ol

3-[[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]methyl]pyrrolidin-3-ol (PubChem CID 114761198) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-[[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]methyl]pyrrolidin-3-ol
PubChem CID114761198
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-[[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]methyl]pyrrolidin-3-ol
SMILESCN(CC1(O)CCNC1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-18(13-15(19)8-9-17-12-15)14-5-10-20-16(11-14)6-3-2-4-7-16/h14,17,19H,2-13H2,1H3
InChIKeyWSXUIRVKKDRDNG-UHFFFAOYSA-N
XLogP1.52
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

1-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]cyclopentan-1-ol
CID 114952577
4-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]oxan-4-ol
CID 114952717
1-[[methyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]methyl]cyclopentan-1-ol
CID 114952588
methyl 2-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetate
CID 79920105
4-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]butan-2-ol
CID 113499845
methyl 3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoate
CID 79919397
2-methyl-3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid
CID 79894051
N-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine
CID 79899995
2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79894267
N',2-dimethyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine
CID 79897985
(5R,9S)-N,N-diethyl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97474345
1-N,4-dimethyl-1-N-(1-oxaspiro[5.5]undecan-4-yl)pentane-1,3-diamine
CID 115318032

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]methyl]pyrrolidin-3-ol (CID 114761198) is 3-[[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]methyl]pyrrolidin-3-ol is CN(CC1(O)CCNC1)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 3-[[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]methyl]pyrrolidin-3-ol?
The InChIKey is WSXUIRVKKDRDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-18(13-15(19)8-9-17-12-15)14-5-10-20-16(11-14)6-3-2-4-7-16/h14,17,19H,2-13H2,1H3.
What are the key properties of 3-[[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]methyl]pyrrolidin-3-ol?
3-[[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]methyl]pyrrolidin-3-ol has a molecular weight of 282.43 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 114761198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).