2-[3-aminopropyl(ethyl)amino]-N,N-dimethylacetamide

C9H21N3O — CID 43137216

IUPAC2-[3-aminopropyl(ethyl)amino]-N,N-dimethylacetamide
SMILESCCN(CCCN)CC(=O)N(C)C
InChIInChI=1S/C9H21N3O/c1-4-12(7-5-6-10)8-9(13)11(2)3/h4-8,10H2,1-3H3
InChIKeyVHJVVIIOOHSRBM-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.25
Rot. Bonds6

About 2-[3-aminopropyl(ethyl)amino]-N,N-dimethylacetamide

2-[3-aminopropyl(ethyl)amino]-N,N-dimethylacetamide (PubChem CID 43137216) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-[3-aminopropyl(ethyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-aminopropyl(ethyl)amino]-N,N-dimethylacetamide
PubChem CID43137216
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name2-[3-aminopropyl(ethyl)amino]-N,N-dimethylacetamide
SMILESCCN(CCCN)CC(=O)N(C)C
InChIInChI=1S/C9H21N3O/c1-4-12(7-5-6-10)8-9(13)11(2)3/h4-8,10H2,1-3H3
InChIKeyVHJVVIIOOHSRBM-UHFFFAOYSA-N
XLogP-0.25
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-methylpropanamide
CID 43588549
2-[3-aminopropyl(propyl)amino]-N,N-dimethylacetamide
CID 43137311
3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]propanamide
CID 60970889
2-[ethyl(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 135183389
3-[2-aminoethyl(ethyl)amino]-N,N-dimethylpropanamide
CID 61351237
2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-dimethylacetamide
CID 54952507
N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine
CID 86127606
N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[3-[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl-[3-[3-[bis[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl]amino]propyl-ethylamino]propyl]amino]propyl]amino]propyl]propane-1,3-diamine
CID 59097400
N'-(2-aminoethyl)-N'-ethylpropane-1,3-diamine
CID 55289486
2-[butyl(2-hydroxyethyl)amino]-N,N-dimethylacetamide
CID 60689153
2-[2-(tert-butylamino)ethyl-ethylamino]-N,N-dimethylacetamide
CID 107446461
2-[3-aminopropyl(ethyl)amino]-N-pentan-2-ylacetamide
CID 61490080

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(ethyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-aminopropyl(ethyl)amino]-N,N-dimethylacetamide (CID 43137216) is 2-[3-aminopropyl(ethyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-aminopropyl(ethyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-aminopropyl(ethyl)amino]-N,N-dimethylacetamide is CCN(CCCN)CC(=O)N(C)C.
What is the InChIKey of 2-[3-aminopropyl(ethyl)amino]-N,N-dimethylacetamide?
The InChIKey is VHJVVIIOOHSRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-4-12(7-5-6-10)8-9(13)11(2)3/h4-8,10H2,1-3H3.
What are the key properties of 2-[3-aminopropyl(ethyl)amino]-N,N-dimethylacetamide?
2-[3-aminopropyl(ethyl)amino]-N,N-dimethylacetamide has a molecular weight of 187.29 g/mol, XLogP of -0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(ethyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 43137216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).