1-amino-2-methyl-3-(2-methylpentoxy)propan-2-ol

C10H23NO2 — CID 103286081

IUPAC1-amino-2-methyl-3-(2-methylpentoxy)propan-2-ol
SMILESCCCC(C)COCC(C)(O)CN
InChIInChI=1S/C10H23NO2/c1-4-5-9(2)6-13-8-10(3,12)7-11/h9,12H,4-8,11H2,1-3H3
InChIKeyAHUQYKMNCHGTET-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.15
Rot. Bonds7

About 1-amino-2-methyl-3-(2-methylpentoxy)propan-2-ol

1-amino-2-methyl-3-(2-methylpentoxy)propan-2-ol (PubChem CID 103286081) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(2-methylpentoxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-3-(2-methylpentoxy)propan-2-ol
PubChem CID103286081
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name1-amino-2-methyl-3-(2-methylpentoxy)propan-2-ol
SMILESCCCC(C)COCC(C)(O)CN
InChIInChI=1S/C10H23NO2/c1-4-5-9(2)6-13-8-10(3,12)7-11/h9,12H,4-8,11H2,1-3H3
InChIKeyAHUQYKMNCHGTET-UHFFFAOYSA-N
XLogP1.15
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-3-(2-methylpentoxy)propan-1-ol
CID 103286036
1-(cyclopropylamino)-2-methyl-3-(2-methylpentoxy)propan-2-ol
CID 103283560
1-amino-3-(3-amino-2-hydroxy-2-methylpropoxy)-2-methylpropan-2-ol
CID 87837706
2-(ethylamino)-2-methyl-3-(2-methylpentoxy)propanamide
CID 103284979
2-(2-methylpentoxy)ethanamine
CID 62343431
2-methylpentyl 2-hydroxy-2-methylpropanoate
CID 89018775
2-amino-2-methyl-4-(2-methylpentoxy)butan-1-ol
CID 103286028
1-(chloromethoxy)-2-methylpentane
CID 55302796
3-methyl-4-(2-methylpentoxy)butan-2-ol
CID 19013944
1-amino-3-(1-methoxypropan-2-yloxy)-2-methylpropan-2-ol
CID 64821675
(E)-4-(2-methylpentoxy)but-2-en-1-amine
CID 103283875
1-amino-2-methyl-3-[methyl(pentan-2-yl)amino]propan-2-ol
CID 64819539

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-(2-methylpentoxy)propan-2-ol?
The IUPAC name of 1-amino-2-methyl-3-(2-methylpentoxy)propan-2-ol (CID 103286081) is 1-amino-2-methyl-3-(2-methylpentoxy)propan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-3-(2-methylpentoxy)propan-2-ol?
The canonical SMILES for 1-amino-2-methyl-3-(2-methylpentoxy)propan-2-ol is CCCC(C)COCC(C)(O)CN.
What is the InChIKey of 1-amino-2-methyl-3-(2-methylpentoxy)propan-2-ol?
The InChIKey is AHUQYKMNCHGTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-4-5-9(2)6-13-8-10(3,12)7-11/h9,12H,4-8,11H2,1-3H3.
What are the key properties of 1-amino-2-methyl-3-(2-methylpentoxy)propan-2-ol?
1-amino-2-methyl-3-(2-methylpentoxy)propan-2-ol has a molecular weight of 189.30 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-(2-methylpentoxy)propan-2-ol is sourced from PubChem (CID 103286081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).