2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanoethyl)-N-methylacetamide

C13H26N4O — CID 79661823

IUPAC2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanoethyl)-N-methylacetamide
SMILESCCN(CC(=O)N(C)CCC#N)CC(C)(C)CN
InChIInChI=1S/C13H26N4O/c1-5-17(11-13(2,3)10-15)9-12(18)16(4)8-6-7-14/h5-6,8-11,15H2,1-4H3
InChIKeyZMBUQHKGADORFS-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.67
Rot. Bonds8

About 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanoethyl)-N-methylacetamide

2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanoethyl)-N-methylacetamide (PubChem CID 79661823) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanoethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanoethyl)-N-methylacetamide
PubChem CID79661823
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanoethyl)-N-methylacetamide
SMILESCCN(CC(=O)N(C)CCC#N)CC(C)(C)CN
InChIInChI=1S/C13H26N4O/c1-5-17(11-13(2,3)10-15)9-12(18)16(4)8-6-7-14/h5-6,8-11,15H2,1-4H3
InChIKeyZMBUQHKGADORFS-UHFFFAOYSA-N
XLogP0.67
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanoethyl)-N-methylacetamide?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanoethyl)-N-methylacetamide (CID 79661823) is 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanoethyl)-N-methylacetamide.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanoethyl)-N-methylacetamide?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanoethyl)-N-methylacetamide is CCN(CC(=O)N(C)CCC#N)CC(C)(C)CN.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanoethyl)-N-methylacetamide?
The InChIKey is ZMBUQHKGADORFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-5-17(11-13(2,3)10-15)9-12(18)16(4)8-6-7-14/h5-6,8-11,15H2,1-4H3.
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanoethyl)-N-methylacetamide?
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanoethyl)-N-methylacetamide has a molecular weight of 254.38 g/mol, XLogP of 0.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanoethyl)-N-methylacetamide is sourced from PubChem (CID 79661823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).