3-amino-4,4-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pentan-1-ol

C13H29NO3 — CID 106447308

IUPAC3-amino-4,4-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pentan-1-ol
SMILESCC(C)COCCOC(CO)C(N)C(C)(C)C
InChIInChI=1S/C13H29NO3/c1-10(2)9-16-6-7-17-11(8-15)12(14)13(3,4)5/h10-12,15H,6-9,14H2,1-5H3
InChIKeyIULSJTRBHOOAHK-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.41
Rot. Bonds8

About 3-amino-4,4-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pentan-1-ol

3-amino-4,4-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pentan-1-ol (PubChem CID 106447308) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-amino-4,4-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pentan-1-ol.

Molecular Properties

Compound Name3-amino-4,4-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pentan-1-ol
PubChem CID106447308
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Name3-amino-4,4-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pentan-1-ol
SMILESCC(C)COCCOC(CO)C(N)C(C)(C)C
InChIInChI=1S/C13H29NO3/c1-10(2)9-16-6-7-17-11(8-15)12(14)13(3,4)5/h10-12,15H,6-9,14H2,1-5H3
InChIKeyIULSJTRBHOOAHK-UHFFFAOYSA-N
XLogP1.41
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.41
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pentan-1-ol?
The IUPAC name of 3-amino-4,4-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pentan-1-ol (CID 106447308) is 3-amino-4,4-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pentan-1-ol.
What is the SMILES notation for 3-amino-4,4-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pentan-1-ol?
The canonical SMILES for 3-amino-4,4-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pentan-1-ol is CC(C)COCCOC(CO)C(N)C(C)(C)C.
What is the InChIKey of 3-amino-4,4-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pentan-1-ol?
The InChIKey is IULSJTRBHOOAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-10(2)9-16-6-7-17-11(8-15)12(14)13(3,4)5/h10-12,15H,6-9,14H2,1-5H3.
What are the key properties of 3-amino-4,4-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pentan-1-ol?
3-amino-4,4-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pentan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethyl-2-[2-(2-methylpropoxy)ethoxy]pentan-1-ol is sourced from PubChem (CID 106447308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).