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

C13H29N3O — CID 61350303

IUPAC2-[2-aminoethyl(propan-2-yl)amino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)N(CCN)C(C)C
InChIInChI=1S/C13H29N3O/c1-7-13(5,6)15-12(17)11(4)16(9-8-14)10(2)3/h10-11H,7-9,14H2,1-6H3,(H,15,17)
InChIKeyZBUXKSPKMCVXPN-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.35
Rot. Bonds7

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

2-[2-aminoethyl(propan-2-yl)amino]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 61350303) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[2-aminoethyl(propan-2-yl)amino]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[2-aminoethyl(propan-2-yl)amino]-N-(2-methylbutan-2-yl)propanamide
PubChem CID61350303
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-[2-aminoethyl(propan-2-yl)amino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)N(CCN)C(C)C
InChIInChI=1S/C13H29N3O/c1-7-13(5,6)15-12(17)11(4)16(9-8-14)10(2)3/h10-11H,7-9,14H2,1-6H3,(H,15,17)
InChIKeyZBUXKSPKMCVXPN-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-aminoethyl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61349502
2-[2-aminoethyl(ethyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61350485
2-[2-aminoethyl(propyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61350121
ethyl 2-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate
CID 62026624
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-[2-aminoethyl(propan-2-yl)amino]-N-cyclopropylpropanamide
CID 61350106
2-[1-aminopropan-2-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 104556787
2-[2-aminoethyl(propan-2-yl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 61486484
(2S)-5-amino-2-methyl-N-(2-methylbutan-2-yl)pentanamide
CID 143373195
3-[methyl-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]propanoic acid;hydrochloride
CID 119911897
3-[ethyl-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid
CID 62851344

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(propan-2-yl)amino]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[2-aminoethyl(propan-2-yl)amino]-N-(2-methylbutan-2-yl)propanamide (CID 61350303) is 2-[2-aminoethyl(propan-2-yl)amino]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[2-aminoethyl(propan-2-yl)amino]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[2-aminoethyl(propan-2-yl)amino]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)N(CCN)C(C)C.
What is the InChIKey of 2-[2-aminoethyl(propan-2-yl)amino]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is ZBUXKSPKMCVXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-7-13(5,6)15-12(17)11(4)16(9-8-14)10(2)3/h10-11H,7-9,14H2,1-6H3,(H,15,17).
What are the key properties of 2-[2-aminoethyl(propan-2-yl)amino]-N-(2-methylbutan-2-yl)propanamide?
2-[2-aminoethyl(propan-2-yl)amino]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 243.39 g/mol, XLogP of 1.35, 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-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 61350303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).