2-[2-aminoethyl(propyl)amino]-N-propylpropanamide

C11H25N3O — CID 61349368

IUPAC2-[2-aminoethyl(propyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(CCC)CCN
InChIInChI=1S/C11H25N3O/c1-4-7-13-11(15)10(3)14(8-5-2)9-6-12/h10H,4-9,12H2,1-3H3,(H,13,15)
InChIKeyBABXQEPNVVSXPD-UHFFFAOYSA-N
MW215.34 g/mol
LogP0.57
Rot. Bonds8

About 2-[2-aminoethyl(propyl)amino]-N-propylpropanamide

2-[2-aminoethyl(propyl)amino]-N-propylpropanamide (PubChem CID 61349368) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[2-aminoethyl(propyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[2-aminoethyl(propyl)amino]-N-propylpropanamide
PubChem CID61349368
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name2-[2-aminoethyl(propyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(CCC)CCN
InChIInChI=1S/C11H25N3O/c1-4-7-13-11(15)10(3)14(8-5-2)9-6-12/h10H,4-9,12H2,1-3H3,(H,13,15)
InChIKeyBABXQEPNVVSXPD-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-aminopropyl(propyl)amino]-N-(2-methylpropyl)propanamide
CID 43137351
2-[2-aminoethyl(propyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61350121
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-butylpropanamide
CID 107494579
2-[3-aminopropyl(propyl)amino]-N-pentan-2-ylpropanamide
CID 43137331
ethyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62026762
2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N-(3-methylbutyl)propanamide
CID 107494666
ethyl 2-[[1-oxo-1-(pentylamino)propan-2-yl]-propylamino]acetate
CID 62026570
methyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62010774
2-(dipropylamino)propanamide
CID 18474126
2-[butyl(2-hydroxyethyl)amino]-N-pentylpropanamide
CID 62016391
2-[2-aminoethyl(benzyl)amino]-N-ethylpropanamide
CID 54903541
2-[3-aminopropyl(cyclopentyl)amino]-N-propylpropanamide
CID 43137600

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(propyl)amino]-N-propylpropanamide?
The IUPAC name of 2-[2-aminoethyl(propyl)amino]-N-propylpropanamide (CID 61349368) is 2-[2-aminoethyl(propyl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[2-aminoethyl(propyl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[2-aminoethyl(propyl)amino]-N-propylpropanamide is CCCNC(=O)C(C)N(CCC)CCN.
What is the InChIKey of 2-[2-aminoethyl(propyl)amino]-N-propylpropanamide?
The InChIKey is BABXQEPNVVSXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-4-7-13-11(15)10(3)14(8-5-2)9-6-12/h10H,4-9,12H2,1-3H3,(H,13,15).
What are the key properties of 2-[2-aminoethyl(propyl)amino]-N-propylpropanamide?
2-[2-aminoethyl(propyl)amino]-N-propylpropanamide has a molecular weight of 215.34 g/mol, XLogP of 0.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(propyl)amino]-N-propylpropanamide is sourced from PubChem (CID 61349368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).