2-[3-aminopropyl(propyl)amino]-N-(2-methylpropyl)propanamide

C13H29N3O — CID 43137351

IUPAC2-[3-aminopropyl(propyl)amino]-N-(2-methylpropyl)propanamide
SMILESCCCN(CCCN)C(C)C(=O)NCC(C)C
InChIInChI=1S/C13H29N3O/c1-5-8-16(9-6-7-14)12(4)13(17)15-10-11(2)3/h11-12H,5-10,14H2,1-4H3,(H,15,17)
InChIKeyPYEORQDKZXKQLW-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.21
Rot. Bonds9

About 2-[3-aminopropyl(propyl)amino]-N-(2-methylpropyl)propanamide

2-[3-aminopropyl(propyl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 43137351) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[3-aminopropyl(propyl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[3-aminopropyl(propyl)amino]-N-(2-methylpropyl)propanamide
PubChem CID43137351
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-[3-aminopropyl(propyl)amino]-N-(2-methylpropyl)propanamide
SMILESCCCN(CCCN)C(C)C(=O)NCC(C)C
InChIInChI=1S/C13H29N3O/c1-5-8-16(9-6-7-14)12(4)13(17)15-10-11(2)3/h11-12H,5-10,14H2,1-4H3,(H,15,17)
InChIKeyPYEORQDKZXKQLW-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2-methylpropyl)propanamide
CID 55171324
2-[3-aminopropyl(propyl)amino]-N-pentan-2-ylpropanamide
CID 43137331
2-[2-aminoethyl(propyl)amino]-N-propylpropanamide
CID 61349368
2-[ethyl(2-hydroxyethyl)amino]-N-(2-methylpropyl)propanamide
CID 60686188
2-[3-aminopropyl(ethyl)amino]-N-(ethylcarbamoyl)propanamide
CID 43137250
2-[butyl(2-hydroxyethyl)amino]-N-pentylpropanamide
CID 62016391
2-[2-aminoethyl(propyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61350121
1-(3-aminopropyl)-3-(2-methylpropyl)urea
CID 117235685
ethyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62026762
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-butylpropanamide
CID 107494579
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(2-methylpropyl)propanamide
CID 79389367
ethyl 2-[[1-oxo-1-(pentylamino)propan-2-yl]-propylamino]acetate
CID 62026570

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(propyl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[3-aminopropyl(propyl)amino]-N-(2-methylpropyl)propanamide (CID 43137351) is 2-[3-aminopropyl(propyl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[3-aminopropyl(propyl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[3-aminopropyl(propyl)amino]-N-(2-methylpropyl)propanamide is CCCN(CCCN)C(C)C(=O)NCC(C)C.
What is the InChIKey of 2-[3-aminopropyl(propyl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is PYEORQDKZXKQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-5-8-16(9-6-7-14)12(4)13(17)15-10-11(2)3/h11-12H,5-10,14H2,1-4H3,(H,15,17).
What are the key properties of 2-[3-aminopropyl(propyl)amino]-N-(2-methylpropyl)propanamide?
2-[3-aminopropyl(propyl)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 243.39 g/mol, XLogP of 1.21, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(propyl)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 43137351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).