1-methoxy-3-(spiro[3.5]nonan-3-ylamino)propan-2-ol

C13H25NO2 — CID 102951950

IUPAC1-methoxy-3-(spiro[3.5]nonan-3-ylamino)propan-2-ol
SMILESCOCC(O)CNC1CCC12CCCCC2
InChIInChI=1S/C13H25NO2/c1-16-10-11(15)9-14-12-5-8-13(12)6-3-2-4-7-13/h11-12,14-15H,2-10H2,1H3
InChIKeyLXFCJFOUPVDFRC-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.70
Rot. Bonds5

About 1-methoxy-3-(spiro[3.5]nonan-3-ylamino)propan-2-ol

1-methoxy-3-(spiro[3.5]nonan-3-ylamino)propan-2-ol (PubChem CID 102951950) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-methoxy-3-(spiro[3.5]nonan-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-(spiro[3.5]nonan-3-ylamino)propan-2-ol
PubChem CID102951950
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-methoxy-3-(spiro[3.5]nonan-3-ylamino)propan-2-ol
SMILESCOCC(O)CNC1CCC12CCCCC2
InChIInChI=1S/C13H25NO2/c1-16-10-11(15)9-14-12-5-8-13(12)6-3-2-4-7-13/h11-12,14-15H,2-10H2,1H3
InChIKeyLXFCJFOUPVDFRC-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(spiro[3.5]nonan-3-ylamino)pentan-2-ol
CID 102952417
3-methyl-1-(spiro[3.5]nonan-3-ylamino)butan-2-ol
CID 102952410
N-(2-methylpropyl)spiro[3.4]octan-3-amine
CID 131207014
N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-3-amine
CID 102951989
1-(cyclopropylamino)-3-methoxypropan-2-ol
CID 21034992
(2S)-1-N-spiro[3.4]octan-3-ylpropane-1,2-diamine
CID 164658810
4-(spiro[3.5]nonan-3-ylamino)butan-2-ol
CID 102951974
N-[(4-ethylcyclohexyl)methyl]spiro[3.5]nonan-3-amine
CID 102951540
N-(2-methoxyethyl)-2-(spiro[3.5]nonan-3-ylamino)propanamide
CID 102952314
3-[(2-hydroxy-3-methoxypropyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 112634064
1-[(2,2-dimethylcyclopentyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990157
N'-methyl-N'-propan-2-yl-N-spiro[3.5]nonan-3-ylethane-1,2-diamine
CID 102951849

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(spiro[3.5]nonan-3-ylamino)propan-2-ol?
The IUPAC name of 1-methoxy-3-(spiro[3.5]nonan-3-ylamino)propan-2-ol (CID 102951950) is 1-methoxy-3-(spiro[3.5]nonan-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-methoxy-3-(spiro[3.5]nonan-3-ylamino)propan-2-ol?
The canonical SMILES for 1-methoxy-3-(spiro[3.5]nonan-3-ylamino)propan-2-ol is COCC(O)CNC1CCC12CCCCC2.
What is the InChIKey of 1-methoxy-3-(spiro[3.5]nonan-3-ylamino)propan-2-ol?
The InChIKey is LXFCJFOUPVDFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-16-10-11(15)9-14-12-5-8-13(12)6-3-2-4-7-13/h11-12,14-15H,2-10H2,1H3.
What are the key properties of 1-methoxy-3-(spiro[3.5]nonan-3-ylamino)propan-2-ol?
1-methoxy-3-(spiro[3.5]nonan-3-ylamino)propan-2-ol has a molecular weight of 227.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(spiro[3.5]nonan-3-ylamino)propan-2-ol is sourced from PubChem (CID 102951950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).