2-(hexan-3-ylamino)-1-(oxan-4-yl)ethanol

C13H27NO2 — CID 115906358

IUPAC2-(hexan-3-ylamino)-1-(oxan-4-yl)ethanol
SMILESCCCC(CC)NCC(O)C1CCOCC1
InChIInChI=1S/C13H27NO2/c1-3-5-12(4-2)14-10-13(15)11-6-8-16-9-7-11/h11-15H,3-10H2,1-2H3
InChIKeyPLHUTDVRJBDYIJ-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds7

About 2-(hexan-3-ylamino)-1-(oxan-4-yl)ethanol

2-(hexan-3-ylamino)-1-(oxan-4-yl)ethanol (PubChem CID 115906358) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-(hexan-3-ylamino)-1-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name2-(hexan-3-ylamino)-1-(oxan-4-yl)ethanol
PubChem CID115906358
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-(hexan-3-ylamino)-1-(oxan-4-yl)ethanol
SMILESCCCC(CC)NCC(O)C1CCOCC1
InChIInChI=1S/C13H27NO2/c1-3-5-12(4-2)14-10-13(15)11-6-8-16-9-7-11/h11-15H,3-10H2,1-2H3
InChIKeyPLHUTDVRJBDYIJ-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(hexan-3-ylamino)-1-(oxan-4-yl)ethanol 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

1-cyclopentyl-2-(hexan-3-ylamino)ethanol
CID 115906323
1-cyclopentyl-2-(heptan-4-ylamino)ethanol
CID 115677140
1-cyclopropyl-2-(pentan-3-ylamino)ethanol
CID 63294536
2-(hexan-2-ylamino)-1-(oxolan-3-yl)ethanol
CID 115890644
1-(oxepan-4-yl)propan-1-ol
CID 79298601
2-(2-methylpentylamino)-1-(oxolan-3-yl)ethanol
CID 115907653
N-[(3S)-hexan-3-yl]oxane-4-carboxamide
CID 170970278
4-hexan-3-yloxane
CID 118974929
1-(oxolan-3-yl)-2-propylpentan-1-ol
CID 115798272
N-[1-(oxolan-3-yl)ethyl]hexan-3-amine
CID 115888979
1-(oxan-4-yl)-2-propylsulfanylethanol
CID 65129416
2-(4-methylpentan-2-ylamino)-1-(oxolan-3-yl)ethanol
CID 115890653

Frequently Asked Questions

What is the IUPAC name of 2-(hexan-3-ylamino)-1-(oxan-4-yl)ethanol?
The IUPAC name of 2-(hexan-3-ylamino)-1-(oxan-4-yl)ethanol (CID 115906358) is 2-(hexan-3-ylamino)-1-(oxan-4-yl)ethanol.
What is the SMILES notation for 2-(hexan-3-ylamino)-1-(oxan-4-yl)ethanol?
The canonical SMILES for 2-(hexan-3-ylamino)-1-(oxan-4-yl)ethanol is CCCC(CC)NCC(O)C1CCOCC1.
What is the InChIKey of 2-(hexan-3-ylamino)-1-(oxan-4-yl)ethanol?
The InChIKey is PLHUTDVRJBDYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-5-12(4-2)14-10-13(15)11-6-8-16-9-7-11/h11-15H,3-10H2,1-2H3.
What are the key properties of 2-(hexan-3-ylamino)-1-(oxan-4-yl)ethanol?
2-(hexan-3-ylamino)-1-(oxan-4-yl)ethanol has a molecular weight of 229.36 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexan-3-ylamino)-1-(oxan-4-yl)ethanol is sourced from PubChem (CID 115906358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).