2-[2-aminoethyl(ethyl)amino]-N-(2-methylbutan-2-yl)propanamide

C12H27N3O — CID 61350485

IUPAC2-[2-aminoethyl(ethyl)amino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCN(CCN)C(C)C(=O)NC(C)(C)CC
InChIInChI=1S/C12H27N3O/c1-6-12(4,5)14-11(16)10(3)15(7-2)9-8-13/h10H,6-9,13H2,1-5H3,(H,14,16)
InChIKeyZOFHOQUWQMCODI-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.96
Rot. Bonds7

About 2-[2-aminoethyl(ethyl)amino]-N-(2-methylbutan-2-yl)propanamide

2-[2-aminoethyl(ethyl)amino]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 61350485) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-[2-aminoethyl(ethyl)amino]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[2-aminoethyl(ethyl)amino]-N-(2-methylbutan-2-yl)propanamide
PubChem CID61350485
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-[2-aminoethyl(ethyl)amino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCN(CCN)C(C)C(=O)NC(C)(C)CC
InChIInChI=1S/C12H27N3O/c1-6-12(4,5)14-11(16)10(3)15(7-2)9-8-13/h10H,6-9,13H2,1-5H3,(H,14,16)
InChIKeyZOFHOQUWQMCODI-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-aminoethyl(propyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61350121
2-[ethyl(3-hydroxypropyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 113342816
2-[2-aminoethyl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61349502
2-[2-aminoethyl(propan-2-yl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61350303
3-[ethyl-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid
CID 62851344
2-[2-aminoethyl(propan-2-yl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 61486484
2-[5-aminopentyl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 107207248
2-[2-aminoethyl(cyclopentyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 63760066
2-[1-aminopropan-2-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 104556787
2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 3031109
2-[(2-amino-2-oxoethyl)-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107440476
2-[2-aminoethyl(2-methoxyethyl)amino]-N-tert-butylpropanamide
CID 113468478

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(ethyl)amino]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[2-aminoethyl(ethyl)amino]-N-(2-methylbutan-2-yl)propanamide (CID 61350485) is 2-[2-aminoethyl(ethyl)amino]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[2-aminoethyl(ethyl)amino]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[2-aminoethyl(ethyl)amino]-N-(2-methylbutan-2-yl)propanamide is CCN(CCN)C(C)C(=O)NC(C)(C)CC.
What is the InChIKey of 2-[2-aminoethyl(ethyl)amino]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is ZOFHOQUWQMCODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-6-12(4,5)14-11(16)10(3)15(7-2)9-8-13/h10H,6-9,13H2,1-5H3,(H,14,16).
What are the key properties of 2-[2-aminoethyl(ethyl)amino]-N-(2-methylbutan-2-yl)propanamide?
2-[2-aminoethyl(ethyl)amino]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 229.37 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(ethyl)amino]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 61350485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).