3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide

C9H21N3O — CID 65270025

IUPAC3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCCN
InChIInChI=1S/C9H21N3O/c1-8(2,9(3,4)11)7(13)12-6-5-10/h5-6,10-11H2,1-4H3,(H,12,13)
InChIKeyNWYKZVBLTJKFGJ-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.18
Rot. Bonds4

About 3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide

3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide (PubChem CID 65270025) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide
PubChem CID65270025
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCCN
InChIInChI=1S/C9H21N3O/c1-8(2,9(3,4)11)7(13)12-6-5-10/h5-6,10-11H2,1-4H3,(H,12,13)
InChIKeyNWYKZVBLTJKFGJ-UHFFFAOYSA-N
XLogP-0.18
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N,1-N-tris(2-aminoethyl)ethane-1,1,1-tricarboxamide
CID 15388023
3-amino-2,2,3-trimethyl-N-(2-methylsulfanylethyl)butanamide
CID 65267164
N-(2-aminoethyl)-2,2-dimethylpropanamide;hydrochloride
CID 47002886
3-amino-2,2,3-trimethyl-N-(3-sulfamoylpropyl)butanamide
CID 65266947
N-(2-aminoethyl)-2-methyl-2-(methylamino)propanamide
CID 62846737
3-amino-N-(3-ethoxypropyl)-2,2,3-trimethylbutanamide
CID 65264682
ethyl 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]propanoate
CID 65267148
3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide
CID 65269830
6-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4,4-dimethylhexanoic acid
CID 65286271
3-amino-N-(2,2-dimethylbutyl)-2,2,3-trimethylbutanamide
CID 103461615
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2,3-trimethylbutanamide
CID 114167258
3-amino-2,2,3-trimethyl-N-(2,3,3-trimethylbutyl)butanamide
CID 83142759

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide (CID 65270025) is 3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide is CC(C)(N)C(C)(C)C(=O)NCCN.
What is the InChIKey of 3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide?
The InChIKey is NWYKZVBLTJKFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-8(2,9(3,4)11)7(13)12-6-5-10/h5-6,10-11H2,1-4H3,(H,12,13).
What are the key properties of 3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide?
3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide has a molecular weight of 187.29 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide is sourced from PubChem (CID 65270025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).