N-(3-aminopropyl)-3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-methylpropanamide

C13H28N4O2 — CID 43588549

IUPACN-(3-aminopropyl)-3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-methylpropanamide
SMILESCCN(CCC(=O)N(C)CCCN)CC(=O)N(C)C
InChIInChI=1S/C13H28N4O2/c1-5-17(11-13(19)15(2)3)10-7-12(18)16(4)9-6-8-14/h5-11,14H2,1-4H3
InChIKeyWMHLEFKHBJEIED-UHFFFAOYSA-N
MW272.39 g/mol
LogP-0.41
Rot. Bonds9

About N-(3-aminopropyl)-3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-methylpropanamide

N-(3-aminopropyl)-3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-methylpropanamide (PubChem CID 43588549) has the molecular formula C13H28N4O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-methylpropanamide
PubChem CID43588549
Molecular FormulaC13H28N4O2
Molecular Weight272.39 g/mol
Exact Mass272.22
IUPAC NameN-(3-aminopropyl)-3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-methylpropanamide
SMILESCCN(CCC(=O)N(C)CCCN)CC(=O)N(C)C
InChIInChI=1S/C13H28N4O2/c1-5-17(11-13(19)15(2)3)10-7-12(18)16(4)9-6-8-14/h5-11,14H2,1-4H3
InChIKeyWMHLEFKHBJEIED-UHFFFAOYSA-N
XLogP-0.41
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-aminopropyl(ethyl)amino]-N,N-dimethylacetamide
CID 43137216
N-(3-aminopropyl)-3-[ethyl(2-ethylbutyl)amino]-N-methylpropanamide
CID 43588424
3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]propanamide
CID 60970889
2-[3-aminopropyl(propyl)amino]-N,N-dimethylacetamide
CID 43137311
N-(3-aminopropyl)-3-[bis(2-hydroxyethyl)amino]-N-methylpropanamide
CID 61244464
3-[2-aminoethyl(ethyl)amino]-N,N-dimethylpropanamide
CID 61351237
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160
N-(3-aminopropyl)-N-methylheptanamide
CID 115737512
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774
N-(3-aminopropyl)-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylpropanamide
CID 61433794
N-(5-aminopentyl)-3-ethoxy-N-methylpropanamide
CID 107206617
2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-dimethylacetamide
CID 54952507

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-methylpropanamide?
The IUPAC name of N-(3-aminopropyl)-3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-methylpropanamide (CID 43588549) is N-(3-aminopropyl)-3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-methylpropanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-methylpropanamide?
The canonical SMILES for N-(3-aminopropyl)-3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-methylpropanamide is CCN(CCC(=O)N(C)CCCN)CC(=O)N(C)C.
What is the InChIKey of N-(3-aminopropyl)-3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-methylpropanamide?
The InChIKey is WMHLEFKHBJEIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2/c1-5-17(11-13(19)15(2)3)10-7-12(18)16(4)9-6-8-14/h5-11,14H2,1-4H3.
What are the key properties of N-(3-aminopropyl)-3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-methylpropanamide?
N-(3-aminopropyl)-3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-methylpropanamide has a molecular weight of 272.39 g/mol, XLogP of -0.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-methylpropanamide is sourced from PubChem (CID 43588549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).