3-(hydroxymethyl)-2-methoxy-5-[3-(methylamino)propyl]cyclopentan-1-ol;yttrium

C11H23NO3Y — CID 176685943

IUPAC3-(hydroxymethyl)-2-methoxy-5-[3-(methylamino)propyl]cyclopentan-1-ol;yttrium
SMILESCNCCCC1CC(CO)C(OC)C1O.[Y]
InChIInChI=1S/C11H23NO3.Y/c1-12-5-3-4-8-6-9(7-13)11(15-2)10(8)14;/h8-14H,3-7H2,1-2H3;
InChIKeyRELKRIVRNYBJPP-UHFFFAOYSA-N
MW306.22 g/mol
LogP-0.01
Rot. Bonds6

About 3-(hydroxymethyl)-2-methoxy-5-[3-(methylamino)propyl]cyclopentan-1-ol;yttrium

3-(hydroxymethyl)-2-methoxy-5-[3-(methylamino)propyl]cyclopentan-1-ol;yttrium (PubChem CID 176685943) has the molecular formula C11H23NO3Y and a molecular weight of 306.22 g/mol. Its IUPAC name is 3-(hydroxymethyl)-2-methoxy-5-[3-(methylamino)propyl]cyclopentan-1-ol;yttrium.

Molecular Properties

Compound Name3-(hydroxymethyl)-2-methoxy-5-[3-(methylamino)propyl]cyclopentan-1-ol;yttrium
PubChem CID176685943
Molecular FormulaC11H23NO3Y
Molecular Weight306.22 g/mol
Exact Mass306.07
IUPAC Name3-(hydroxymethyl)-2-methoxy-5-[3-(methylamino)propyl]cyclopentan-1-ol;yttrium
SMILESCNCCCC1CC(CO)C(OC)C1O.[Y]
InChIInChI=1S/C11H23NO3.Y/c1-12-5-3-4-8-6-9(7-13)11(15-2)10(8)14;/h8-14H,3-7H2,1-2H3;
InChIKeyRELKRIVRNYBJPP-UHFFFAOYSA-N
XLogP-0.01
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(hydroxymethyl)-2-methoxy-5-[3-(methylamino)propyl]cyclopentan-1-ol;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-(hydroxymethyl)-6-methoxy-3-methylcyclohexan-1-ol
CID 58607711
3-(2-tert-butylcyclopentyl)-N-methylpropan-1-amine
CID 84733552
N-methyl-6-[2-[6-(methylamino)hexyl]-4,5-dioctylcyclohexyl]hexan-1-amine
CID 70916013
4-(hydroxymethyl)-6-methoxycyclohexane-1,2,3-triol;methane
CID 159534501
N-methyl-3-(3-methylcyclobutyl)propan-1-amine
CID 119055096
(2R)-2-(hydroxymethyl)-4-(methylamino)cyclopentan-1-ol
CID 59891072
[(2S)-2-(hydroxymethyl)cyclopropyl]methanol
CID 67842260
5-[2,3-dihydroxy-5-(hydroxymethyl)-4-methoxycyclohexyl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 59602798
(1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol
CID 10920662
[(1S,2S)-2-octylcyclopropyl]methanol
CID 121360287
3-(3-ethylcyclobutyl)-N-methylpropan-1-amine
CID 169125304
trans-(1S,2R)-N,N-dimethyl-2-[5-(methylamino)pentyl]cyclopropan-1-amine
CID 163429944

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-2-methoxy-5-[3-(methylamino)propyl]cyclopentan-1-ol;yttrium?
The IUPAC name of 3-(hydroxymethyl)-2-methoxy-5-[3-(methylamino)propyl]cyclopentan-1-ol;yttrium (CID 176685943) is 3-(hydroxymethyl)-2-methoxy-5-[3-(methylamino)propyl]cyclopentan-1-ol;yttrium.
What is the SMILES notation for 3-(hydroxymethyl)-2-methoxy-5-[3-(methylamino)propyl]cyclopentan-1-ol;yttrium?
The canonical SMILES for 3-(hydroxymethyl)-2-methoxy-5-[3-(methylamino)propyl]cyclopentan-1-ol;yttrium is CNCCCC1CC(CO)C(OC)C1O.[Y].
What is the InChIKey of 3-(hydroxymethyl)-2-methoxy-5-[3-(methylamino)propyl]cyclopentan-1-ol;yttrium?
The InChIKey is RELKRIVRNYBJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3.Y/c1-12-5-3-4-8-6-9(7-13)11(15-2)10(8)14;/h8-14H,3-7H2,1-2H3;.
What are the key properties of 3-(hydroxymethyl)-2-methoxy-5-[3-(methylamino)propyl]cyclopentan-1-ol;yttrium?
3-(hydroxymethyl)-2-methoxy-5-[3-(methylamino)propyl]cyclopentan-1-ol;yttrium has a molecular weight of 306.22 g/mol, XLogP of -0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-2-methoxy-5-[3-(methylamino)propyl]cyclopentan-1-ol;yttrium is sourced from PubChem (CID 176685943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).