2-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-2-methylbutanamide

C12H26N2O2 — CID 114941575

IUPAC2-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-2-methylbutanamide
SMILESCCOC(C)(C)CNC(=O)C(C)(CC)CN
InChIInChI=1S/C12H26N2O2/c1-6-12(5,8-13)10(15)14-9-11(3,4)16-7-2/h6-9,13H2,1-5H3,(H,14,15)
InChIKeyXWCBWWBUWVPXGN-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.29
Rot. Bonds7

About 2-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-2-methylbutanamide

2-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-2-methylbutanamide (PubChem CID 114941575) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-2-methylbutanamide
PubChem CID114941575
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-2-methylbutanamide
SMILESCCOC(C)(C)CNC(=O)C(C)(CC)CN
InChIInChI=1S/C12H26N2O2/c1-6-12(5,8-13)10(15)14-9-11(3,4)16-7-2/h6-9,13H2,1-5H3,(H,14,15)
InChIKeyXWCBWWBUWVPXGN-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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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Related Compounds

2-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 114290297
2-(aminomethyl)-N-ethyl-2-methylbutanamide
CID 114290216
2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide
CID 114290208
2-(aminomethyl)-N,2-dimethylbutanamide
CID 114290214
3-amino-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide
CID 114941574
2-(aminomethyl)-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102904797
N-(2-ethoxy-2-methylpropyl)butanamide
CID 114944319
2-(4-aminophenyl)-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide
CID 114942256
2-(aminomethyl)-2-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104759857
4-[(2-ethoxy-2-methylpropyl)amino]-4-oxobutanoic acid
CID 114940625
2-(aminomethyl)-N-(3-hydroxy-4-methoxybutyl)-2-methylbutanamide
CID 106247571
ethynyl N-(2-ethoxy-2-methylpropyl)carbamate
CID 163393137

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-2-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-2-methylbutanamide (CID 114941575) is 2-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-2-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-2-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-2-methylbutanamide is CCOC(C)(C)CNC(=O)C(C)(CC)CN.
What is the InChIKey of 2-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-2-methylbutanamide?
The InChIKey is XWCBWWBUWVPXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-6-12(5,8-13)10(15)14-9-11(3,4)16-7-2/h6-9,13H2,1-5H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-2-methylbutanamide?
2-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-2-methylbutanamide has a molecular weight of 230.35 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-2-methylbutanamide is sourced from PubChem (CID 114941575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).