2-(4-amino-3,3-dimethylbutan-2-yl)oxy-2-methylpropan-1-ol

C10H23NO2 — CID 170288800

IUPAC2-(4-amino-3,3-dimethylbutan-2-yl)oxy-2-methylpropan-1-ol
SMILESCC(OC(C)(C)CO)C(C)(C)CN
InChIInChI=1S/C10H23NO2/c1-8(9(2,3)6-11)13-10(4,5)7-12/h8,12H,6-7,11H2,1-5H3
InChIKeyYRADPHJBQMQYPF-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.15
Rot. Bonds5

About 2-(4-amino-3,3-dimethylbutan-2-yl)oxy-2-methylpropan-1-ol

2-(4-amino-3,3-dimethylbutan-2-yl)oxy-2-methylpropan-1-ol (PubChem CID 170288800) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylbutan-2-yl)oxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylbutan-2-yl)oxy-2-methylpropan-1-ol
PubChem CID170288800
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2-(4-amino-3,3-dimethylbutan-2-yl)oxy-2-methylpropan-1-ol
SMILESCC(OC(C)(C)CO)C(C)(C)CN
InChIInChI=1S/C10H23NO2/c1-8(9(2,3)6-11)13-10(4,5)7-12/h8,12H,6-7,11H2,1-5H3
InChIKeyYRADPHJBQMQYPF-UHFFFAOYSA-N
XLogP1.15
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylbutan-2-yl)oxy-2-methylpropan-1-ol?
The IUPAC name of 2-(4-amino-3,3-dimethylbutan-2-yl)oxy-2-methylpropan-1-ol (CID 170288800) is 2-(4-amino-3,3-dimethylbutan-2-yl)oxy-2-methylpropan-1-ol.
What is the SMILES notation for 2-(4-amino-3,3-dimethylbutan-2-yl)oxy-2-methylpropan-1-ol?
The canonical SMILES for 2-(4-amino-3,3-dimethylbutan-2-yl)oxy-2-methylpropan-1-ol is CC(OC(C)(C)CO)C(C)(C)CN.
What is the InChIKey of 2-(4-amino-3,3-dimethylbutan-2-yl)oxy-2-methylpropan-1-ol?
The InChIKey is YRADPHJBQMQYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-8(9(2,3)6-11)13-10(4,5)7-12/h8,12H,6-7,11H2,1-5H3.
What are the key properties of 2-(4-amino-3,3-dimethylbutan-2-yl)oxy-2-methylpropan-1-ol?
2-(4-amino-3,3-dimethylbutan-2-yl)oxy-2-methylpropan-1-ol has a molecular weight of 189.30 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylbutan-2-yl)oxy-2-methylpropan-1-ol is sourced from PubChem (CID 170288800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).