2-[2-aminoethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide

C12H27N3O — CID 61489563

IUPAC2-[2-aminoethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN(CCN)C(C)C
InChIInChI=1S/C12H27N3O/c1-9(2)11(5)14-12(16)8-15(7-6-13)10(3)4/h9-11H,6-8,13H2,1-5H3,(H,14,16)
InChIKeyKUABBZMCGCZCKL-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.82
Rot. Bonds7

About 2-[2-aminoethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide

2-[2-aminoethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 61489563) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-[2-aminoethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
PubChem CID61489563
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-[2-aminoethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN(CCN)C(C)C
InChIInChI=1S/C12H27N3O/c1-9(2)11(5)14-12(16)8-15(7-6-13)10(3)4/h9-11H,6-8,13H2,1-5H3,(H,14,16)
InChIKeyKUABBZMCGCZCKL-UHFFFAOYSA-N
XLogP0.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-aminopropyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 54962103
2-[2-hydroxyethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 60691834
2-[2-aminoethyl(propan-2-yl)amino]acetamide
CID 61348378
2-[2-aminoethyl(propan-2-yl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 61486484
2-(2-aminoethylsulfonyl)-N-(3-methylbutan-2-yl)acetamide
CID 81174763
2-(3-aminopropylsulfonyl)-N-(3-methylbutan-2-yl)acetamide
CID 81187001
N-(3-methylbutan-2-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]acetamide
CID 79714649
2-[2-aminoethyl(pentan-3-yl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 63764416
2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 62014229
2-[2-aminoethyl(pentan-3-yl)amino]-N-carbamoylacetamide
CID 63761726
1-[3-aminopropyl(propan-2-yl)amino]propan-2-one
CID 89029623
2-[butyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide
CID 51081968

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[2-aminoethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide (CID 61489563) is 2-[2-aminoethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CN(CCN)C(C)C.
What is the InChIKey of 2-[2-aminoethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is KUABBZMCGCZCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-9(2)11(5)14-12(16)8-15(7-6-13)10(3)4/h9-11H,6-8,13H2,1-5H3,(H,14,16).
What are the key properties of 2-[2-aminoethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide?
2-[2-aminoethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 229.37 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 61489563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).