2-(aminomethyl)-2-ethyl-N-(2-propan-2-yloxyethyl)butanamide

C12H26N2O2 — CID 104759851

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

About 2-(aminomethyl)-2-ethyl-N-(2-propan-2-yloxyethyl)butanamide

2-(aminomethyl)-2-ethyl-N-(2-propan-2-yloxyethyl)butanamide (PubChem CID 104759851) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-(2-propan-2-yloxyethyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-(2-propan-2-yloxyethyl)butanamide
PubChem CID104759851
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-(aminomethyl)-2-ethyl-N-(2-propan-2-yloxyethyl)butanamide
SMILESCCC(CC)(CN)C(=O)NCCOC(C)C
InChIInChI=1S/C12H26N2O2/c1-5-12(6-2,9-13)11(15)14-7-8-16-10(3)4/h10H,5-9,13H2,1-4H3,(H,14,15)
InChIKeyQLELZEKFBUZYQQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-2-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104759857
2-(aminomethyl)-2-ethyl-N-[2-(2-methylpropoxy)ethyl]butanamide
CID 115760321
3-amino-2,2-dimethyl-N-(3-propan-2-yloxypropyl)propanamide
CID 81484725
2,2-diethyl-4-oxo-4-(2-propan-2-yloxyethylamino)butanoic acid
CID 104759072
2-propan-2-yloxyethylurea
CID 22179539
3-(aminomethyl)-3-ethyl-1-propan-2-yloxypentan-2-one
CID 116603764
ethyl N-(2-propan-2-yloxyethyl)carbamate
CID 14496147
2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide
CID 104759858
2-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 112703692
2-(aminomethyl)-N-(2,3-dimethylbutyl)-2-ethylbutanamide
CID 64568514
(2R)-2-amino-3-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104761131
2-(aminomethyl)-2-ethyl-N-[2-(ethylsulfamoyl)ethyl]butanamide
CID 103840332

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-(2-propan-2-yloxyethyl)butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-(2-propan-2-yloxyethyl)butanamide (CID 104759851) is 2-(aminomethyl)-2-ethyl-N-(2-propan-2-yloxyethyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-(2-propan-2-yloxyethyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-(2-propan-2-yloxyethyl)butanamide is CCC(CC)(CN)C(=O)NCCOC(C)C.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-(2-propan-2-yloxyethyl)butanamide?
The InChIKey is QLELZEKFBUZYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-12(6-2,9-13)11(15)14-7-8-16-10(3)4/h10H,5-9,13H2,1-4H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-2-ethyl-N-(2-propan-2-yloxyethyl)butanamide?
2-(aminomethyl)-2-ethyl-N-(2-propan-2-yloxyethyl)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-(2-propan-2-yloxyethyl)butanamide is sourced from PubChem (CID 104759851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).