2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-propylacetamide

C13H29N3O — CID 79662015

IUPAC2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)CC(C)(C)CN
InChIInChI=1S/C13H29N3O/c1-5-7-15-12(17)9-16(8-6-2)11-13(3,4)10-14/h5-11,14H2,1-4H3,(H,15,17)
InChIKeyAYNRVEYLIBQXCI-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.21
Rot. Bonds9

About 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-propylacetamide

2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-propylacetamide (PubChem CID 79662015) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-propylacetamide
PubChem CID79662015
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)CC(C)(C)CN
InChIInChI=1S/C13H29N3O/c1-5-7-15-12(17)9-16(8-6-2)11-13(3,4)10-14/h5-11,14H2,1-4H3,(H,15,17)
InChIKeyAYNRVEYLIBQXCI-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-benzylacetamide
CID 79665033
2-[ethyl(propyl)amino]-N-propylacetamide
CID 135183244
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-cycloheptylacetamide
CID 79665477
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-pyrimidin-2-ylacetamide
CID 79662404
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methylpropyl)acetamide
CID 79662393
methyl 4-[[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]acetyl]amino]butanoate
CID 79668203
ethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate
CID 60965392
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(1,3-thiazol-2-yl)acetamide
CID 79661188
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(3-propan-2-yloxypropyl)acetamide
CID 79661979
2-[bis(2-hydroxyethyl)amino]-N-propylacetamide
CID 60686308
N-butyl-2-(dipropylamino)acetamide
CID 54817378
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(3-cyanothiophen-2-yl)acetamide
CID 79665274

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-propylacetamide?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-propylacetamide (CID 79662015) is 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-propylacetamide?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-propylacetamide is CCCNC(=O)CN(CCC)CC(C)(C)CN.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-propylacetamide?
The InChIKey is AYNRVEYLIBQXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-5-7-15-12(17)9-16(8-6-2)11-13(3,4)10-14/h5-11,14H2,1-4H3,(H,15,17).
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-propylacetamide?
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-propylacetamide has a molecular weight of 243.39 g/mol, XLogP of 1.21, 9 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)-propylamino]-N-propylacetamide is sourced from PubChem (CID 79662015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).