1-amino-6-(2-ethoxyethoxy)-2-methylhexan-2-ol

C11H25NO3 — CID 64814822

IUPAC1-amino-6-(2-ethoxyethoxy)-2-methylhexan-2-ol
SMILESCCOCCOCCCCC(C)(O)CN
InChIInChI=1S/C11H25NO3/c1-3-14-8-9-15-7-5-4-6-11(2,13)10-12/h13H,3-10,12H2,1-2H3
InChIKeyHGOFGCTYMQBCDN-UHFFFAOYSA-N
MW219.32 g/mol
LogP0.92
Rot. Bonds10

About 1-amino-6-(2-ethoxyethoxy)-2-methylhexan-2-ol

1-amino-6-(2-ethoxyethoxy)-2-methylhexan-2-ol (PubChem CID 64814822) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 1-amino-6-(2-ethoxyethoxy)-2-methylhexan-2-ol.

Molecular Properties

Compound Name1-amino-6-(2-ethoxyethoxy)-2-methylhexan-2-ol
PubChem CID64814822
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name1-amino-6-(2-ethoxyethoxy)-2-methylhexan-2-ol
SMILESCCOCCOCCCCC(C)(O)CN
InChIInChI=1S/C11H25NO3/c1-3-14-8-9-15-7-5-4-6-11(2,13)10-12/h13H,3-10,12H2,1-2H3
InChIKeyHGOFGCTYMQBCDN-UHFFFAOYSA-N
XLogP0.92
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-5-(2-methoxyethoxy)-2-methylpentan-2-ol
CID 64812317
6-ethoxy-2,2-dimethylhexan-1-amine
CID 106708552
4-(2-ethoxyethoxy)-2,2-dimethylbutan-1-amine
CID 65249201
1-amino-6-cyclohexyloxy-2-methylhexan-2-ol
CID 64812320
1-amino-5-(2,2-difluoroethoxy)-2-methylpentan-2-ol
CID 82009085
2-ethoxyethyl 4-amino-3-hydroxy-3-methylbutanoate
CID 66002390
1-ethoxy-10,10-dimethylundecane
CID 150524219
1-ethoxy-6,6-dimethylheptane
CID 58021102
3-(4-ethoxybutoxy)propan-1-amine
CID 87914179
1-amino-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-2-ol
CID 66278597
4-(2-ethoxyethoxy)butan-1-ol
CID 15885586
1-(2-ethoxyethoxy)-2-methylpropan-2-ol
CID 20617821

Frequently Asked Questions

What is the IUPAC name of 1-amino-6-(2-ethoxyethoxy)-2-methylhexan-2-ol?
The IUPAC name of 1-amino-6-(2-ethoxyethoxy)-2-methylhexan-2-ol (CID 64814822) is 1-amino-6-(2-ethoxyethoxy)-2-methylhexan-2-ol.
What is the SMILES notation for 1-amino-6-(2-ethoxyethoxy)-2-methylhexan-2-ol?
The canonical SMILES for 1-amino-6-(2-ethoxyethoxy)-2-methylhexan-2-ol is CCOCCOCCCCC(C)(O)CN.
What is the InChIKey of 1-amino-6-(2-ethoxyethoxy)-2-methylhexan-2-ol?
The InChIKey is HGOFGCTYMQBCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-3-14-8-9-15-7-5-4-6-11(2,13)10-12/h13H,3-10,12H2,1-2H3.
What are the key properties of 1-amino-6-(2-ethoxyethoxy)-2-methylhexan-2-ol?
1-amino-6-(2-ethoxyethoxy)-2-methylhexan-2-ol has a molecular weight of 219.32 g/mol, XLogP of 0.92, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-(2-ethoxyethoxy)-2-methylhexan-2-ol is sourced from PubChem (CID 64814822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).