2-amino-4-methoxy-2-methylhexan-3-ol

C8H19NO2 — CID 131223231

IUPAC2-amino-4-methoxy-2-methylhexan-3-ol
SMILESCCC(OC)C(O)C(C)(C)N
InChIInChI=1S/C8H19NO2/c1-5-6(11-4)7(10)8(2,3)9/h6-7,10H,5,9H2,1-4H3
InChIKeyKAJXVRSGLCIDQU-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.51
Rot. Bonds4

About 2-amino-4-methoxy-2-methylhexan-3-ol

2-amino-4-methoxy-2-methylhexan-3-ol (PubChem CID 131223231) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 2-amino-4-methoxy-2-methylhexan-3-ol.

Molecular Properties

Compound Name2-amino-4-methoxy-2-methylhexan-3-ol
PubChem CID131223231
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name2-amino-4-methoxy-2-methylhexan-3-ol
SMILESCCC(OC)C(O)C(C)(C)N
InChIInChI=1S/C8H19NO2/c1-5-6(11-4)7(10)8(2,3)9/h6-7,10H,5,9H2,1-4H3
InChIKeyKAJXVRSGLCIDQU-UHFFFAOYSA-N
XLogP0.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-4-methoxy-2-methylhexan-3-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

(3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane
CID 59693568
2-hydroxy-3-methoxypentanamide
CID 131162764
4-methoxy-2-methylhexan-3-ol
CID 116710715
3-methoxyheptan-4-ol
CID 54045994
ethane-1,1,1-triol;methoxymethanediol
CID 158946660
3-methoxypentane-1,2-diamine
CID 131111146
2-methoxy-1-(3-methylthiophen-2-yl)butan-1-ol
CID 116710769
4,6-dimethoxy-3-methylundecane-3,5,9-triamine
CID 90736722
(4R)-4-methoxy-3-methylhexan-3-ol
CID 156880648
2-amino-2,4,5,5-tetramethylhexan-3-ol
CID 130506923
(3S)-1,2,3-trimethoxypentane
CID 167509153
4-(aminomethyl)-2-methoxy-2-methylhexan-3-ol
CID 165445412

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-2-methylhexan-3-ol?
The IUPAC name of 2-amino-4-methoxy-2-methylhexan-3-ol (CID 131223231) is 2-amino-4-methoxy-2-methylhexan-3-ol.
What is the SMILES notation for 2-amino-4-methoxy-2-methylhexan-3-ol?
The canonical SMILES for 2-amino-4-methoxy-2-methylhexan-3-ol is CCC(OC)C(O)C(C)(C)N.
What is the InChIKey of 2-amino-4-methoxy-2-methylhexan-3-ol?
The InChIKey is KAJXVRSGLCIDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-5-6(11-4)7(10)8(2,3)9/h6-7,10H,5,9H2,1-4H3.
What are the key properties of 2-amino-4-methoxy-2-methylhexan-3-ol?
2-amino-4-methoxy-2-methylhexan-3-ol has a molecular weight of 161.24 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-2-methylhexan-3-ol is sourced from PubChem (CID 131223231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).