2-amino-4-methyl-2-(3-methylpentan-3-yloxymethyl)pentan-1-ol

C13H29NO2 — CID 137472078

IUPAC2-amino-4-methyl-2-(3-methylpentan-3-yloxymethyl)pentan-1-ol
SMILESCCC(C)(CC)OCC(N)(CO)CC(C)C
InChIInChI=1S/C13H29NO2/c1-6-12(5,7-2)16-10-13(14,9-15)8-11(3)4/h11,15H,6-10,14H2,1-5H3
InChIKeyOQJKYULWTGJGGY-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.32
Rot. Bonds8

About 2-amino-4-methyl-2-(3-methylpentan-3-yloxymethyl)pentan-1-ol

2-amino-4-methyl-2-(3-methylpentan-3-yloxymethyl)pentan-1-ol (PubChem CID 137472078) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-amino-4-methyl-2-(3-methylpentan-3-yloxymethyl)pentan-1-ol.

Molecular Properties

Compound Name2-amino-4-methyl-2-(3-methylpentan-3-yloxymethyl)pentan-1-ol
PubChem CID137472078
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name2-amino-4-methyl-2-(3-methylpentan-3-yloxymethyl)pentan-1-ol
SMILESCCC(C)(CC)OCC(N)(CO)CC(C)C
InChIInChI=1S/C13H29NO2/c1-6-12(5,7-2)16-10-13(14,9-15)8-11(3)4/h11,15H,6-10,14H2,1-5H3
InChIKeyOQJKYULWTGJGGY-UHFFFAOYSA-N
XLogP2.32
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-2-(3-methylpentan-3-yloxymethyl)pentan-1-ol?
The IUPAC name of 2-amino-4-methyl-2-(3-methylpentan-3-yloxymethyl)pentan-1-ol (CID 137472078) is 2-amino-4-methyl-2-(3-methylpentan-3-yloxymethyl)pentan-1-ol.
What is the SMILES notation for 2-amino-4-methyl-2-(3-methylpentan-3-yloxymethyl)pentan-1-ol?
The canonical SMILES for 2-amino-4-methyl-2-(3-methylpentan-3-yloxymethyl)pentan-1-ol is CCC(C)(CC)OCC(N)(CO)CC(C)C.
What is the InChIKey of 2-amino-4-methyl-2-(3-methylpentan-3-yloxymethyl)pentan-1-ol?
The InChIKey is OQJKYULWTGJGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-6-12(5,7-2)16-10-13(14,9-15)8-11(3)4/h11,15H,6-10,14H2,1-5H3.
What are the key properties of 2-amino-4-methyl-2-(3-methylpentan-3-yloxymethyl)pentan-1-ol?
2-amino-4-methyl-2-(3-methylpentan-3-yloxymethyl)pentan-1-ol has a molecular weight of 231.38 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-2-(3-methylpentan-3-yloxymethyl)pentan-1-ol is sourced from PubChem (CID 137472078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).