N-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-propan-2-ylpropan-2-amine

C13H27NO3 — CID 22975527

IUPACN-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-propan-2-ylpropan-2-amine
SMILESCOC1CC(CN(C(C)C)C(C)C)C(OC)O1
InChIInChI=1S/C13H27NO3/c1-9(2)14(10(3)4)8-11-7-12(15-5)17-13(11)16-6/h9-13H,7-8H2,1-6H3
InChIKeyIEDAZJGYHTYQFE-UHFFFAOYSA-N
MW245.36 g/mol
LogP2.09
Rot. Bonds6

About N-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-propan-2-ylpropan-2-amine

N-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-propan-2-ylpropan-2-amine (PubChem CID 22975527) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is N-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-propan-2-ylpropan-2-amine
PubChem CID22975527
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC NameN-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-propan-2-ylpropan-2-amine
SMILESCOC1CC(CN(C(C)C)C(C)C)C(OC)O1
InChIInChI=1S/C13H27NO3/c1-9(2)14(10(3)4)8-11-7-12(15-5)17-13(11)16-6/h9-13H,7-8H2,1-6H3
InChIKeyIEDAZJGYHTYQFE-UHFFFAOYSA-N
XLogP2.09
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-propan-2-ylpropan-2-amine (CID 22975527) is N-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-propan-2-ylpropan-2-amine is COC1CC(CN(C(C)C)C(C)C)C(OC)O1.
What is the InChIKey of N-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is IEDAZJGYHTYQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-9(2)14(10(3)4)8-11-7-12(15-5)17-13(11)16-6/h9-13H,7-8H2,1-6H3.
What are the key properties of N-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-propan-2-ylpropan-2-amine?
N-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 245.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 22975527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).