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

C11H24N2O2 — CID 104759857

IUPAC2-(aminomethyl)-2-methyl-N-(2-propan-2-yloxyethyl)butanamide
SMILESCCC(C)(CN)C(=O)NCCOC(C)C
InChIInChI=1S/C11H24N2O2/c1-5-11(4,8-12)10(14)13-6-7-15-9(2)3/h9H,5-8,12H2,1-4H3,(H,13,14)
InChIKeyBDCISUPMYBCPKT-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.90
Rot. Bonds7

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

2-(aminomethyl)-2-methyl-N-(2-propan-2-yloxyethyl)butanamide (PubChem CID 104759857) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-(aminomethyl)-2-methyl-N-(2-propan-2-yloxyethyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-methyl-N-(2-propan-2-yloxyethyl)butanamide
PubChem CID104759857
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name2-(aminomethyl)-2-methyl-N-(2-propan-2-yloxyethyl)butanamide
SMILESCCC(C)(CN)C(=O)NCCOC(C)C
InChIInChI=1S/C11H24N2O2/c1-5-11(4,8-12)10(14)13-6-7-15-9(2)3/h9H,5-8,12H2,1-4H3,(H,13,14)
InChIKeyBDCISUPMYBCPKT-UHFFFAOYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.90
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
2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide
CID 114290208
3-amino-2,2-dimethyl-N-(3-propan-2-yloxypropyl)propanamide
CID 81484725
2-(aminomethyl)-N-(3-hydroxy-4-methoxybutyl)-2-methylbutanamide
CID 106247571
2-(aminomethyl)-N-ethyl-2-methylbutanamide
CID 114290216
2-(aminomethyl)-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102904797
2-propan-2-yloxyethylurea
CID 22179539
ethyl N-(2-propan-2-yloxyethyl)carbamate
CID 14496147
2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide
CID 104759858
2-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 114290297
2-(aminomethyl)-N,2-dimethylbutanamide
CID 114290214
2-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-2-methylbutanamide
CID 114941575

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-methyl-N-(2-propan-2-yloxyethyl)butanamide?
The IUPAC name of 2-(aminomethyl)-2-methyl-N-(2-propan-2-yloxyethyl)butanamide (CID 104759857) is 2-(aminomethyl)-2-methyl-N-(2-propan-2-yloxyethyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-methyl-N-(2-propan-2-yloxyethyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-2-methyl-N-(2-propan-2-yloxyethyl)butanamide is CCC(C)(CN)C(=O)NCCOC(C)C.
What is the InChIKey of 2-(aminomethyl)-2-methyl-N-(2-propan-2-yloxyethyl)butanamide?
The InChIKey is BDCISUPMYBCPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-5-11(4,8-12)10(14)13-6-7-15-9(2)3/h9H,5-8,12H2,1-4H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-2-methyl-N-(2-propan-2-yloxyethyl)butanamide?
2-(aminomethyl)-2-methyl-N-(2-propan-2-yloxyethyl)butanamide has a molecular weight of 216.32 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-methyl-N-(2-propan-2-yloxyethyl)butanamide is sourced from PubChem (CID 104759857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).