2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(3-cyanothiophen-2-yl)acetamide

C15H24N4OS — CID 79665274

IUPAC2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(3-cyanothiophen-2-yl)acetamide
SMILESCCCN(CC(=O)Nc1sccc1C#N)CC(C)(C)CN
InChIInChI=1S/C15H24N4OS/c1-4-6-19(11-15(2,3)10-17)9-13(20)18-14-12(8-16)5-7-21-14/h5,7H,4,6,9-11,17H2,1-3H3,(H,18,20)
InChIKeyVKBMOIYWEYIZIE-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.26
Rot. Bonds8

About 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(3-cyanothiophen-2-yl)acetamide

2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(3-cyanothiophen-2-yl)acetamide (PubChem CID 79665274) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(3-cyanothiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(3-cyanothiophen-2-yl)acetamide
PubChem CID79665274
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(3-cyanothiophen-2-yl)acetamide
SMILESCCCN(CC(=O)Nc1sccc1C#N)CC(C)(C)CN
InChIInChI=1S/C15H24N4OS/c1-4-6-19(11-15(2,3)10-17)9-13(20)18-14-12(8-16)5-7-21-14/h5,7H,4,6,9-11,17H2,1-3H3,(H,18,20)
InChIKeyVKBMOIYWEYIZIE-UHFFFAOYSA-N
XLogP2.26
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-cyanothiophen-2-yl)acetamide
CID 79652535
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(1,3-thiazol-2-yl)acetamide
CID 79661188
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-pyrimidin-2-ylacetamide
CID 79662404
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 27246805
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanophenyl)acetamide
CID 79664547
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79274861
N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide
CID 17374418
3-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid
CID 60987126
ethyl 3-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62011639
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442383
N-(3-cyanothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605028
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-propylacetamide
CID 79662015

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(3-cyanothiophen-2-yl)acetamide?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(3-cyanothiophen-2-yl)acetamide (CID 79665274) is 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(3-cyanothiophen-2-yl)acetamide.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(3-cyanothiophen-2-yl)acetamide?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(3-cyanothiophen-2-yl)acetamide is CCCN(CC(=O)Nc1sccc1C#N)CC(C)(C)CN.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(3-cyanothiophen-2-yl)acetamide?
The InChIKey is VKBMOIYWEYIZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-4-6-19(11-15(2,3)10-17)9-13(20)18-14-12(8-16)5-7-21-14/h5,7H,4,6,9-11,17H2,1-3H3,(H,18,20).
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(3-cyanothiophen-2-yl)acetamide?
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(3-cyanothiophen-2-yl)acetamide has a molecular weight of 308.45 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(3-cyanothiophen-2-yl)acetamide is sourced from PubChem (CID 79665274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).