2-(aminomethyl)-2-ethyl-N-(4-methoxybutan-2-yl)butanamide

C12H26N2O2 — CID 64604222

IUPAC2-(aminomethyl)-2-ethyl-N-(4-methoxybutan-2-yl)butanamide
SMILESCCC(CC)(CN)C(=O)NC(C)CCOC
InChIInChI=1S/C12H26N2O2/c1-5-12(6-2,9-13)11(15)14-10(3)7-8-16-4/h10H,5-9,13H2,1-4H3,(H,14,15)
InChIKeyZKOXNUZEPKJPOY-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.29
Rot. Bonds8

About 2-(aminomethyl)-2-ethyl-N-(4-methoxybutan-2-yl)butanamide

2-(aminomethyl)-2-ethyl-N-(4-methoxybutan-2-yl)butanamide (PubChem CID 64604222) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-(4-methoxybutan-2-yl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-(4-methoxybutan-2-yl)butanamide
PubChem CID64604222
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-(aminomethyl)-2-ethyl-N-(4-methoxybutan-2-yl)butanamide
SMILESCCC(CC)(CN)C(=O)NC(C)CCOC
InChIInChI=1S/C12H26N2O2/c1-5-12(6-2,9-13)11(15)14-10(3)7-8-16-4/h10H,5-9,13H2,1-4H3,(H,14,15)
InChIKeyZKOXNUZEPKJPOY-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-(4-methoxybutan-2-yl)butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-(4-methoxybutan-2-yl)butanamide (CID 64604222) is 2-(aminomethyl)-2-ethyl-N-(4-methoxybutan-2-yl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-(4-methoxybutan-2-yl)butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-(4-methoxybutan-2-yl)butanamide is CCC(CC)(CN)C(=O)NC(C)CCOC.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-(4-methoxybutan-2-yl)butanamide?
The InChIKey is ZKOXNUZEPKJPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-12(6-2,9-13)11(15)14-10(3)7-8-16-4/h10H,5-9,13H2,1-4H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-2-ethyl-N-(4-methoxybutan-2-yl)butanamide?
2-(aminomethyl)-2-ethyl-N-(4-methoxybutan-2-yl)butanamide has a molecular weight of 230.35 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-(4-methoxybutan-2-yl)butanamide is sourced from PubChem (CID 64604222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).