2-[1-aminopropan-2-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide

C12H27N3O — CID 104556787

IUPAC2-[1-aminopropan-2-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)N(C)C(C)CN
InChIInChI=1S/C12H27N3O/c1-7-12(4,5)14-11(16)10(3)15(6)9(2)8-13/h9-10H,7-8,13H2,1-6H3,(H,14,16)
InChIKeyNRQGOCXZRVUWCO-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.96
Rot. Bonds6

About 2-[1-aminopropan-2-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide

2-[1-aminopropan-2-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 104556787) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-[1-aminopropan-2-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[1-aminopropan-2-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
PubChem CID104556787
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-[1-aminopropan-2-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)N(C)C(C)CN
InChIInChI=1S/C12H27N3O/c1-7-12(4,5)14-11(16)10(3)15(6)9(2)8-13/h9-10H,7-8,13H2,1-6H3,(H,14,16)
InChIKeyNRQGOCXZRVUWCO-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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(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(propan-2-yl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61350303
2-[5-aminopentyl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 107207248
2-[2-aminoethyl(propyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61350121
(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
2-[(2-amino-2-oxoethyl)-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107440476
2-[azetidin-3-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 66187847
2-[2-aminoethyl(cyclopentyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 63760066
2-aminooxy-N-(2-methylbutan-2-yl)propanamide
CID 79426922
ethyl 2-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate
CID 62026624

Frequently Asked Questions

What is the IUPAC name of 2-[1-aminopropan-2-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[1-aminopropan-2-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide (CID 104556787) is 2-[1-aminopropan-2-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[1-aminopropan-2-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[1-aminopropan-2-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)N(C)C(C)CN.
What is the InChIKey of 2-[1-aminopropan-2-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is NRQGOCXZRVUWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-7-12(4,5)14-11(16)10(3)15(6)9(2)8-13/h9-10H,7-8,13H2,1-6H3,(H,14,16).
What are the key properties of 2-[1-aminopropan-2-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide?
2-[1-aminopropan-2-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 229.37 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-aminopropan-2-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 104556787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).