2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methylpropyl)acetamide

C13H29N3O — CID 79662393

IUPAC2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methylpropyl)acetamide
SMILESCCN(CC(=O)NCC(C)C)CC(C)(C)CN
InChIInChI=1S/C13H29N3O/c1-6-16(10-13(4,5)9-14)8-12(17)15-7-11(2)3/h11H,6-10,14H2,1-5H3,(H,15,17)
InChIKeyQKVUYNWFLJJELW-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.07
Rot. Bonds8

About 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methylpropyl)acetamide

2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methylpropyl)acetamide (PubChem CID 79662393) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methylpropyl)acetamide
PubChem CID79662393
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methylpropyl)acetamide
SMILESCCN(CC(=O)NCC(C)C)CC(C)(C)CN
InChIInChI=1S/C13H29N3O/c1-6-16(10-13(4,5)9-14)8-12(17)15-7-11(2)3/h11H,6-10,14H2,1-5H3,(H,15,17)
InChIKeyQKVUYNWFLJJELW-UHFFFAOYSA-N
XLogP1.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(3-propan-2-yloxypropyl)acetamide
CID 79661979
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 79662387
methyl 4-[[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]acetyl]amino]butanoate
CID 79668203
2-[butyl(ethyl)amino]-N-(2-methylpropyl)acetamide
CID 86910806
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-propylacetamide
CID 79662015
N-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]acetyl]benzamide
CID 79664554
2-[(4-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide
CID 43458829
N'-ethyl-2,2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 79660847
3-[2-carboxyethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid
CID 82327299
2-[(2-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide
CID 43459354
2-(dimethylamino)-N-(2-methylpropyl)acetamide
CID 20735570
2-[(2-amino-2-oxoethyl)-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid
CID 107440295

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methylpropyl)acetamide (CID 79662393) is 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methylpropyl)acetamide is CCN(CC(=O)NCC(C)C)CC(C)(C)CN.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is QKVUYNWFLJJELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-6-16(10-13(4,5)9-14)8-12(17)15-7-11(2)3/h11H,6-10,14H2,1-5H3,(H,15,17).
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methylpropyl)acetamide?
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 243.39 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 79662393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).