2-[2-aminopropyl(methyl)amino]-N-(3-methylbutyl)propanamide

C12H27N3O — CID 63758993

IUPAC2-[2-aminopropyl(methyl)amino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)N(C)CC(C)N
InChIInChI=1S/C12H27N3O/c1-9(2)6-7-14-12(16)11(4)15(5)8-10(3)13/h9-11H,6-8,13H2,1-5H3,(H,14,16)
InChIKeyXAUQFQAHVHKJKM-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.82
Rot. Bonds7

About 2-[2-aminopropyl(methyl)amino]-N-(3-methylbutyl)propanamide

2-[2-aminopropyl(methyl)amino]-N-(3-methylbutyl)propanamide (PubChem CID 63758993) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-[2-aminopropyl(methyl)amino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[2-aminopropyl(methyl)amino]-N-(3-methylbutyl)propanamide
PubChem CID63758993
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-[2-aminopropyl(methyl)amino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)N(C)CC(C)N
InChIInChI=1S/C12H27N3O/c1-9(2)6-7-14-12(16)11(4)15(5)8-10(3)13/h9-11H,6-8,13H2,1-5H3,(H,14,16)
InChIKeyXAUQFQAHVHKJKM-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-[2-aminopropyl(methyl)amino]-N-methylpropanamide
CID 63760672
2-[2-aminopropyl(methyl)amino]-N-cyclopropylpropanamide
CID 63758992
2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)propanamide
CID 113227840
6-amino-2-methyl-N-(3-methylbutyl)heptanamide
CID 65293191
2-[1-cyanopropan-2-yl(methyl)amino]-N-(3-methylbutyl)propanamide
CID 63224789
1,3-bis(3-methylbutyl)urea
CID 22563958
2-[2-aminoethyl(pentan-3-yl)amino]-N-(3-methylbutyl)propanamide
CID 63762461
2-[(3-amino-2-methylpropyl)-ethylamino]-N-(3-methylbutyl)propanamide
CID 54987708
2-(3-aminoazetidin-1-yl)-N-(3-methylbutyl)propanamide
CID 63761130
2-[2-hydroxypropyl(methyl)amino]-N-(2-methoxyethyl)propanamide
CID 62334710
2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54900395
3-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 61010363

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminopropyl(methyl)amino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[2-aminopropyl(methyl)amino]-N-(3-methylbutyl)propanamide (CID 63758993) is 2-[2-aminopropyl(methyl)amino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[2-aminopropyl(methyl)amino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[2-aminopropyl(methyl)amino]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)N(C)CC(C)N.
What is the InChIKey of 2-[2-aminopropyl(methyl)amino]-N-(3-methylbutyl)propanamide?
The InChIKey is XAUQFQAHVHKJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-9(2)6-7-14-12(16)11(4)15(5)8-10(3)13/h9-11H,6-8,13H2,1-5H3,(H,14,16).
What are the key properties of 2-[2-aminopropyl(methyl)amino]-N-(3-methylbutyl)propanamide?
2-[2-aminopropyl(methyl)amino]-N-(3-methylbutyl)propanamide 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-aminopropyl(methyl)amino]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 63758993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).