2-(3-aminopropoxy)oxan-3-ol;methanol

C9H21NO4 — CID 176676704

IUPAC2-(3-aminopropoxy)oxan-3-ol;methanol
SMILESCO.NCCCOC1OCCCC1O
InChIInChI=1S/C8H17NO3.CH4O/c9-4-2-6-12-8-7(10)3-1-5-11-8;1-2/h7-8,10H,1-6,9H2;2H,1H3
InChIKeyRIIPYQUAXGVHAI-UHFFFAOYSA-N
MW207.27 g/mol
LogP-0.54
Rot. Bonds4

About 2-(3-aminopropoxy)oxan-3-ol;methanol

2-(3-aminopropoxy)oxan-3-ol;methanol (PubChem CID 176676704) has the molecular formula C9H21NO4 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(3-aminopropoxy)oxan-3-ol;methanol.

Molecular Properties

Compound Name2-(3-aminopropoxy)oxan-3-ol;methanol
PubChem CID176676704
Molecular FormulaC9H21NO4
Molecular Weight207.27 g/mol
Exact Mass207.15
IUPAC Name2-(3-aminopropoxy)oxan-3-ol;methanol
SMILESCO.NCCCOC1OCCCC1O
InChIInChI=1S/C8H17NO3.CH4O/c9-4-2-6-12-8-7(10)3-1-5-11-8;1-2/h7-8,10H,1-6,9H2;2H,1H3
InChIKeyRIIPYQUAXGVHAI-UHFFFAOYSA-N
XLogP-0.54
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-aminopropoxy)oxan-3-ol;methanol 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

(2R)-2-decoxyoxan-3-ol
CID 164930030
(2S,3S)-2-prop-2-enoxyoxan-3-ol
CID 130770210
(2S,3R)-2-[2-(furan-2-yl)ethoxy]oxan-3-ol
CID 24787768
2-methoxyoxan-3-ol;propan-1-ol
CID 145057675
N'-[2-[(6S)-3-hydroxy-6-methyloxan-2-yl]oxyethyl]-N-[2-(3-hydroxyoxan-2-yl)oxyethyl]pentanediamide
CID 155384355
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
2-(2-hexoxyethoxy)ethanamine;2-(hydroxymethyl)oxan-3-ol
CID 176704836
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 79735000
(1S,2S,4S,5R)-6-(6-aminohexoxy)cyclohexane-1,2,3,4,5-pentol
CID 57203163
3-[(3R)-oxolan-3-yl]oxypropan-1-amine
CID 95969618
2-(2-aminoethoxy)oxolane-3,4-diol
CID 142369560
(2S,3R)-2-ethyloxan-3-ol
CID 101188955

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropoxy)oxan-3-ol;methanol?
The IUPAC name of 2-(3-aminopropoxy)oxan-3-ol;methanol (CID 176676704) is 2-(3-aminopropoxy)oxan-3-ol;methanol.
What is the SMILES notation for 2-(3-aminopropoxy)oxan-3-ol;methanol?
The canonical SMILES for 2-(3-aminopropoxy)oxan-3-ol;methanol is CO.NCCCOC1OCCCC1O.
What is the InChIKey of 2-(3-aminopropoxy)oxan-3-ol;methanol?
The InChIKey is RIIPYQUAXGVHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3.CH4O/c9-4-2-6-12-8-7(10)3-1-5-11-8;1-2/h7-8,10H,1-6,9H2;2H,1H3.
What are the key properties of 2-(3-aminopropoxy)oxan-3-ol;methanol?
2-(3-aminopropoxy)oxan-3-ol;methanol has a molecular weight of 207.27 g/mol, XLogP of -0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropoxy)oxan-3-ol;methanol is sourced from PubChem (CID 176676704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).