2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4,4-dimethylpentanamide

C14H30N2O3 — CID 107471842

IUPAC2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4,4-dimethylpentanamide
SMILESCOCCOCCCNC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C14H30N2O3/c1-14(2,3)10-12(11-15)13(17)16-6-5-7-19-9-8-18-4/h12H,5-11,15H2,1-4H3,(H,16,17)
InChIKeyOBIWQDRGILJRJC-UHFFFAOYSA-N
MW274.40 g/mol
LogP1.17
Rot. Bonds10

About 2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4,4-dimethylpentanamide

2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4,4-dimethylpentanamide (PubChem CID 107471842) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4,4-dimethylpentanamide
PubChem CID107471842
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Name2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4,4-dimethylpentanamide
SMILESCOCCOCCCNC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C14H30N2O3/c1-14(2,3)10-12(11-15)13(17)16-6-5-7-19-9-8-18-4/h12H,5-11,15H2,1-4H3,(H,16,17)
InChIKeyOBIWQDRGILJRJC-UHFFFAOYSA-N
XLogP1.17
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[3-(2-methoxyethoxy)propyl]butanamide
CID 79023229
4-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]butanoic acid
CID 107471722
2-(aminomethyl)-4,4-dimethyl-N-(4-methylpentyl)pentanamide
CID 107471697
2-(aminomethyl)-4,4-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide
CID 107471993
2-(aminomethyl)-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide
CID 107471013
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]propanoic acid
CID 107471719
N-[3-(2-methoxyethoxy)propyl]acetamide
CID 60668585
N-[2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]ethyl]cyclopropanecarboxamide
CID 107472733
(2S)-2,5-diamino-N-[3-[2-[2-[2-[2-[3-[[(2S)-2,5-diaminopentanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]pentanamide
CID 138616287
2-amino-N-[2-[3-(2-methoxyethoxy)propylamino]-2-oxoethyl]acetamide
CID 61274452
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134028875
ethane;N-[3-(2-methoxyethoxy)propyl]acetamide
CID 177221846

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4,4-dimethylpentanamide (CID 107471842) is 2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4,4-dimethylpentanamide is COCCOCCCNC(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4,4-dimethylpentanamide?
The InChIKey is OBIWQDRGILJRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-14(2,3)10-12(11-15)13(17)16-6-5-7-19-9-8-18-4/h12H,5-11,15H2,1-4H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4,4-dimethylpentanamide?
2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4,4-dimethylpentanamide has a molecular weight of 274.40 g/mol, XLogP of 1.17, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 107471842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).