N-[2-(2-aminoethylamino)ethyl]-2,2-dimethylbutanamide

C10H23N3O — CID 23553907

IUPACN-[2-(2-aminoethylamino)ethyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCNCCN
InChIInChI=1S/C10H23N3O/c1-4-10(2,3)9(14)13-8-7-12-6-5-11/h12H,4-8,11H2,1-3H3,(H,13,14)
InChIKeyRUWIWUCOHQDOAM-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.09
Rot. Bonds7

About N-[2-(2-aminoethylamino)ethyl]-2,2-dimethylbutanamide

N-[2-(2-aminoethylamino)ethyl]-2,2-dimethylbutanamide (PubChem CID 23553907) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is N-[2-(2-aminoethylamino)ethyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylamino)ethyl]-2,2-dimethylbutanamide
PubChem CID23553907
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC NameN-[2-(2-aminoethylamino)ethyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCNCCN
InChIInChI=1S/C10H23N3O/c1-4-10(2,3)9(14)13-8-7-12-6-5-11/h12H,4-8,11H2,1-3H3,(H,13,14)
InChIKeyRUWIWUCOHQDOAM-UHFFFAOYSA-N
XLogP0.09
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-Amino-N,3,3-trimethylbutanamide
CID 445856
(2S)-2-amino-N-[(1S)-1-cyanoethyl]-3,3-dimethylbutanamide
CID 23645890
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3,3-dimethylbutanamide
CID 9861693
2-ethyl-N-[2-(2-ethylbutanoylamino)ethyl]butanamide
CID 228244
N-[2-(butanoylamino)ethyl]butanamide
CID 280045
Butyramide, N-(2-(diethylamino)ethyl)-
CID 44429
N-(2-(Dimethylamino)ethyl)butanamide
CID 198440
2-Amino-N,3,3-Trimethylbutanamide
CID 3496445
3-methyl-N-{2-[(3-methylbutanoyl)amino]propyl}butanamide
CID 2931090
N,N'-1,2-propanediylbis(2,2-dimethylpropanamide)
CID 2932311
N-{2-[(3,3-dimethylbutanoyl)amino]-1-methylethyl}-3,3-dimethylbutanamide
CID 4360846
C3-Amide-C4-NH2
CID 14484861

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylamino)ethyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[2-(2-aminoethylamino)ethyl]-2,2-dimethylbutanamide (CID 23553907) is N-[2-(2-aminoethylamino)ethyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[2-(2-aminoethylamino)ethyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[2-(2-aminoethylamino)ethyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NCCNCCN.
What is the InChIKey of N-[2-(2-aminoethylamino)ethyl]-2,2-dimethylbutanamide?
The InChIKey is RUWIWUCOHQDOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-4-10(2,3)9(14)13-8-7-12-6-5-11/h12H,4-8,11H2,1-3H3,(H,13,14).
What are the key properties of N-[2-(2-aminoethylamino)ethyl]-2,2-dimethylbutanamide?
N-[2-(2-aminoethylamino)ethyl]-2,2-dimethylbutanamide has a molecular weight of 201.31 g/mol, XLogP of 0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylamino)ethyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 23553907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).