2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutanamide

C12H24N2O3 — CID 104759883

IUPAC2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)NCC1(OC)CCOC1
InChIInChI=1S/C12H24N2O3/c1-4-11(2,7-13)10(15)14-8-12(16-3)5-6-17-9-12/h4-9,13H2,1-3H3,(H,14,15)
InChIKeyADNKLTSXZISDDL-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.28
Rot. Bonds6

About 2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutanamide

2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutanamide (PubChem CID 104759883) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutanamide
PubChem CID104759883
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)NCC1(OC)CCOC1
InChIInChI=1S/C12H24N2O3/c1-4-11(2,7-13)10(15)14-8-12(16-3)5-6-17-9-12/h4-9,13H2,1-3H3,(H,14,15)
InChIKeyADNKLTSXZISDDL-UHFFFAOYSA-N
XLogP0.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutanamide (CID 104759883) is 2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutanamide is CCC(C)(CN)C(=O)NCC1(OC)CCOC1.
What is the InChIKey of 2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutanamide?
The InChIKey is ADNKLTSXZISDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-11(2,7-13)10(15)14-8-12(16-3)5-6-17-9-12/h4-9,13H2,1-3H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutanamide?
2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutanamide has a molecular weight of 244.33 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutanamide is sourced from PubChem (CID 104759883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).