2-(aminomethyl)-2-ethyl-N-[2-(2-methylpropoxy)ethyl]butanamide

C13H28N2O2 — CID 115760321

IUPAC2-(aminomethyl)-2-ethyl-N-[2-(2-methylpropoxy)ethyl]butanamide
SMILESCCC(CC)(CN)C(=O)NCCOCC(C)C
InChIInChI=1S/C13H28N2O2/c1-5-13(6-2,10-14)12(16)15-7-8-17-9-11(3)4/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyKUZDUDXBSSOILN-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.54
Rot. Bonds9

About 2-(aminomethyl)-2-ethyl-N-[2-(2-methylpropoxy)ethyl]butanamide

2-(aminomethyl)-2-ethyl-N-[2-(2-methylpropoxy)ethyl]butanamide (PubChem CID 115760321) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-[2-(2-methylpropoxy)ethyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-[2-(2-methylpropoxy)ethyl]butanamide
PubChem CID115760321
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-(aminomethyl)-2-ethyl-N-[2-(2-methylpropoxy)ethyl]butanamide
SMILESCCC(CC)(CN)C(=O)NCCOCC(C)C
InChIInChI=1S/C13H28N2O2/c1-5-13(6-2,10-14)12(16)15-7-8-17-9-11(3)4/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyKUZDUDXBSSOILN-UHFFFAOYSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.54
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-ethyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104759851
N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588549
2-methyl-N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588551
2-amino-2-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115746731
(2S,3S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide
CID 103832967
2-(N'-hydroxycarbamimidoyl)-N-[2-(2-methylpropoxy)ethyl]-2-propylpentanamide
CID 104877299
1-[2-(2-methylpropoxy)ethyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 87034535
(2R)-2-amino-4-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide
CID 104904081
2-amino-2-ethyl-N-[2-(3-methylbutoxy)ethyl]butanamide
CID 79814605
2-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 112703692
2-(aminomethyl)-N-(2,3-dimethylbutyl)-2-ethylbutanamide
CID 64568514
2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide
CID 22336753

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-[2-(2-methylpropoxy)ethyl]butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-[2-(2-methylpropoxy)ethyl]butanamide (CID 115760321) is 2-(aminomethyl)-2-ethyl-N-[2-(2-methylpropoxy)ethyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-[2-(2-methylpropoxy)ethyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-[2-(2-methylpropoxy)ethyl]butanamide is CCC(CC)(CN)C(=O)NCCOCC(C)C.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-[2-(2-methylpropoxy)ethyl]butanamide?
The InChIKey is KUZDUDXBSSOILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-13(6-2,10-14)12(16)15-7-8-17-9-11(3)4/h11H,5-10,14H2,1-4H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-2-ethyl-N-[2-(2-methylpropoxy)ethyl]butanamide?
2-(aminomethyl)-2-ethyl-N-[2-(2-methylpropoxy)ethyl]butanamide has a molecular weight of 244.38 g/mol, XLogP of 1.54, 9 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-(2-methylpropoxy)ethyl]butanamide is sourced from PubChem (CID 115760321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).