2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-5-hydroxypyran-4-one

C14H24N2O3 — CID 79661672

IUPAC2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-5-hydroxypyran-4-one
SMILESCCCN(Cc1cc(=O)c(O)co1)CC(C)(C)CN
InChIInChI=1S/C14H24N2O3/c1-4-5-16(10-14(2,3)9-15)7-11-6-12(17)13(18)8-19-11/h6,8,18H,4-5,7,9-10,15H2,1-3H3
InChIKeyNHZGKGQUYXJEHN-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.54
Rot. Bonds7

About 2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-5-hydroxypyran-4-one

2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-5-hydroxypyran-4-one (PubChem CID 79661672) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-5-hydroxypyran-4-one.

Molecular Properties

Compound Name2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-5-hydroxypyran-4-one
PubChem CID79661672
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-5-hydroxypyran-4-one
SMILESCCCN(Cc1cc(=O)c(O)co1)CC(C)(C)CN
InChIInChI=1S/C14H24N2O3/c1-4-5-16(10-14(2,3)9-15)7-11-6-12(17)13(18)8-19-11/h6,8,18H,4-5,7,9-10,15H2,1-3H3
InChIKeyNHZGKGQUYXJEHN-UHFFFAOYSA-N
XLogP1.54
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-5-hydroxypyran-4-one?
The IUPAC name of 2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-5-hydroxypyran-4-one (CID 79661672) is 2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-5-hydroxypyran-4-one.
What is the SMILES notation for 2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-5-hydroxypyran-4-one?
The canonical SMILES for 2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-5-hydroxypyran-4-one is CCCN(Cc1cc(=O)c(O)co1)CC(C)(C)CN.
What is the InChIKey of 2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-5-hydroxypyran-4-one?
The InChIKey is NHZGKGQUYXJEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-5-16(10-14(2,3)9-15)7-11-6-12(17)13(18)8-19-11/h6,8,18H,4-5,7,9-10,15H2,1-3H3.
What are the key properties of 2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-5-hydroxypyran-4-one?
2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-5-hydroxypyran-4-one has a molecular weight of 268.36 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-5-hydroxypyran-4-one is sourced from PubChem (CID 79661672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).