4-(3-methoxypropylamino)-2-(oxan-4-yl)butan-1-ol

C13H27NO3 — CID 165487783

IUPAC4-(3-methoxypropylamino)-2-(oxan-4-yl)butan-1-ol
SMILESCOCCCNCCC(CO)C1CCOCC1
InChIInChI=1S/C13H27NO3/c1-16-8-2-6-14-7-3-13(11-15)12-4-9-17-10-5-12/h12-15H,2-11H2,1H3
InChIKeyGNAIVUVNYUXHOV-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.04
Rot. Bonds9

About 4-(3-methoxypropylamino)-2-(oxan-4-yl)butan-1-ol

4-(3-methoxypropylamino)-2-(oxan-4-yl)butan-1-ol (PubChem CID 165487783) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 4-(3-methoxypropylamino)-2-(oxan-4-yl)butan-1-ol.

Molecular Properties

Compound Name4-(3-methoxypropylamino)-2-(oxan-4-yl)butan-1-ol
PubChem CID165487783
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name4-(3-methoxypropylamino)-2-(oxan-4-yl)butan-1-ol
SMILESCOCCCNCCC(CO)C1CCOCC1
InChIInChI=1S/C13H27NO3/c1-16-8-2-6-14-7-3-13(11-15)12-4-9-17-10-5-12/h12-15H,2-11H2,1H3
InChIKeyGNAIVUVNYUXHOV-UHFFFAOYSA-N
XLogP1.04
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(3-methoxypropylamino)-2-(oxan-4-yl)butan-1-ol 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-(oxan-4-yl)-4-(propylamino)butan-1-ol
CID 165467754
2-cyclohexyl-4-(2-methoxyethylamino)butan-1-ol
CID 165464562
5-methoxy-N-(oxan-4-ylmethyl)pentan-1-amine
CID 115685550
3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine
CID 43205123
1-(3-methoxypropyl)-3-[1-(oxan-4-yl)ethyl]thiourea
CID 103767959
3-(2-methoxyethoxy)-1-(oxan-4-yl)propan-1-ol
CID 102927528
2-(2-methoxyethylamino)-2-(oxan-3-yl)ethanol
CID 63739547
N-(3-methoxypropyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-amine
CID 63167885
N-(3-methoxypropyl)-2-(oxan-4-ylamino)propanamide
CID 43610209
5-(4-methoxybutylamino)-2-methylpentan-1-ol
CID 106160167
2-(2-methoxyethylamino)-1-(oxolan-3-yl)ethanol
CID 62773174
1-(3-methoxypropyl)-3-(oxan-4-ylmethyl)thiourea
CID 115599220

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropylamino)-2-(oxan-4-yl)butan-1-ol?
The IUPAC name of 4-(3-methoxypropylamino)-2-(oxan-4-yl)butan-1-ol (CID 165487783) is 4-(3-methoxypropylamino)-2-(oxan-4-yl)butan-1-ol.
What is the SMILES notation for 4-(3-methoxypropylamino)-2-(oxan-4-yl)butan-1-ol?
The canonical SMILES for 4-(3-methoxypropylamino)-2-(oxan-4-yl)butan-1-ol is COCCCNCCC(CO)C1CCOCC1.
What is the InChIKey of 4-(3-methoxypropylamino)-2-(oxan-4-yl)butan-1-ol?
The InChIKey is GNAIVUVNYUXHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-16-8-2-6-14-7-3-13(11-15)12-4-9-17-10-5-12/h12-15H,2-11H2,1H3.
What are the key properties of 4-(3-methoxypropylamino)-2-(oxan-4-yl)butan-1-ol?
4-(3-methoxypropylamino)-2-(oxan-4-yl)butan-1-ol has a molecular weight of 245.36 g/mol, XLogP of 1.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropylamino)-2-(oxan-4-yl)butan-1-ol is sourced from PubChem (CID 165487783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).