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

C13H26N2O3 — CID 104759878

IUPAC2-(aminomethyl)-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
SMILESCCC(CC)(CN)C(=O)NCC1(OC)CCOC1
InChIInChI=1S/C13H26N2O3/c1-4-12(5-2,8-14)11(16)15-9-13(17-3)6-7-18-10-13/h4-10,14H2,1-3H3,(H,15,16)
InChIKeyVJUIKWDNXMPCRV-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.67
Rot. Bonds7

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

2-(aminomethyl)-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide (PubChem CID 104759878) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
PubChem CID104759878
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-(aminomethyl)-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
SMILESCCC(CC)(CN)C(=O)NCC1(OC)CCOC1
InChIInChI=1S/C13H26N2O3/c1-4-12(5-2,8-14)11(16)15-9-13(17-3)6-7-18-10-13/h4-10,14H2,1-3H3,(H,15,16)
InChIKeyVJUIKWDNXMPCRV-UHFFFAOYSA-N
XLogP0.67
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide (CID 104759878) is 2-(aminomethyl)-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide is CCC(CC)(CN)C(=O)NCC1(OC)CCOC1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide?
The InChIKey is VJUIKWDNXMPCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-12(5-2,8-14)11(16)15-9-13(17-3)6-7-18-10-13/h4-10,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide?
2-(aminomethyl)-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide has a molecular weight of 258.36 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide is sourced from PubChem (CID 104759878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).