N-(2-cyanoethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide

C11H22N4O — CID 62640317

IUPACN-(2-cyanoethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide
SMILESCC(C)N(C)CCNCC(=O)NCCC#N
InChIInChI=1S/C11H22N4O/c1-10(2)15(3)8-7-13-9-11(16)14-6-4-5-12/h10,13H,4,6-9H2,1-3H3,(H,14,16)
InChIKeySWYSQSVROMOLSN-UHFFFAOYSA-N
MW226.32 g/mol
LogP-0.05
Rot. Bonds8

About N-(2-cyanoethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide

N-(2-cyanoethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide (PubChem CID 62640317) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide
PubChem CID62640317
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC NameN-(2-cyanoethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide
SMILESCC(C)N(C)CCNCC(=O)NCCC#N
InChIInChI=1S/C11H22N4O/c1-10(2)15(3)8-7-13-9-11(16)14-6-4-5-12/h10,13H,4,6-9H2,1-3H3,(H,14,16)
InChIKeySWYSQSVROMOLSN-UHFFFAOYSA-N
XLogP-0.05
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 5-0.05
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

2-[2-[methyl(propan-2-yl)amino]ethylamino]-N-propylacetamide
CID 62642701
N-(2-cyanoethyl)-2-(4-methoxybutylamino)acetamide
CID 60975251
N-(2-cyanoethyl)-2-[2-(2-hydroxyethoxy)ethylamino]acetamide
CID 60689523
N-(2-cyanoethyl)-2-[3-(N-methylanilino)propylamino]acetamide
CID 28573424
N-(2-cyanoethyl)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide
CID 28572608
N,N-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide;ethane
CID 170647127
N-(2-cyanoethyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60697915
N-(2-cyanoethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62333195
3-[[2-(2-cyanoethylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 54925711
N-ethyl-N-methyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide
CID 62639952
N-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]acetamide
CID 106045584
tert-butyl 2-[2-[methyl(propan-2-yl)amino]ethylamino]acetate
CID 62641218

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide (CID 62640317) is N-(2-cyanoethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide is CC(C)N(C)CCNCC(=O)NCCC#N.
What is the InChIKey of N-(2-cyanoethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide?
The InChIKey is SWYSQSVROMOLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-10(2)15(3)8-7-13-9-11(16)14-6-4-5-12/h10,13H,4,6-9H2,1-3H3,(H,14,16).
What are the key properties of N-(2-cyanoethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide?
N-(2-cyanoethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide has a molecular weight of 226.32 g/mol, XLogP of -0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide is sourced from PubChem (CID 62640317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).