N-[3-(2-aminoethylamino)-3-oxopropyl]-2,2-dimethylpropanamide

C10H21N3O2 — CID 119382533

IUPACN-[3-(2-aminoethylamino)-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC(=O)NCCN
InChIInChI=1S/C10H21N3O2/c1-10(2,3)9(15)13-6-4-8(14)12-7-5-11/h4-7,11H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyWKRZGMTVCAAGIC-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.39
Rot. Bonds5

About N-[3-(2-aminoethylamino)-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-(2-aminoethylamino)-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 119382533) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[3-(2-aminoethylamino)-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-(2-aminoethylamino)-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID119382533
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN-[3-(2-aminoethylamino)-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC(=O)NCCN
InChIInChI=1S/C10H21N3O2/c1-10(2,3)9(15)13-6-4-8(14)12-7-5-11/h4-7,11H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyWKRZGMTVCAAGIC-UHFFFAOYSA-N
XLogP-0.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2,2-dimethylpropanamide;hydrochloride
CID 47002886
N-(2-aminoethyl)-4-methyl-4-sulfanylpentanamide
CID 155135234
tert-butyl N-[3-[2-(2,2-dimethylpropanoylamino)ethylamino]-3-oxopropyl]carbamate
CID 108537243
1-N,1-N,1-N-tris(2-aminoethyl)ethane-1,1,1-tricarboxamide
CID 15388023
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide
CID 155054535
N-(2-aminoethyl)butanamide;ethane
CID 143117924
4-amino-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-oxobutanoic acid
CID 43171415
2,2-dimethyl-N-[3-oxo-3-(2-piperazin-1-ylethylamino)propyl]propanamide
CID 119445483
4-[2-[3-(2,2-dimethylpropanoylamino)propanoylamino]ethyl]benzoic acid
CID 75415241
(E)-2,3-bis[2-(2,2-dimethylpropanoylamino)ethyl]but-2-enedioic acid
CID 126482920
3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide
CID 65270025
N-(2-aminoethyl)-2-methyl-2-(methylamino)propanamide
CID 62846737

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylamino)-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-(2-aminoethylamino)-3-oxopropyl]-2,2-dimethylpropanamide (CID 119382533) is N-[3-(2-aminoethylamino)-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-(2-aminoethylamino)-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-(2-aminoethylamino)-3-oxopropyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCC(=O)NCCN.
What is the InChIKey of N-[3-(2-aminoethylamino)-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is WKRZGMTVCAAGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-10(2,3)9(15)13-6-4-8(14)12-7-5-11/h4-7,11H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of N-[3-(2-aminoethylamino)-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-(2-aminoethylamino)-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 215.30 g/mol, XLogP of -0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylamino)-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 119382533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).