2-(1-aminopropan-2-ylamino)-N,N-diethylacetamide

C9H21N3O — CID 103390839

IUPAC2-(1-aminopropan-2-ylamino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNC(C)CN
InChIInChI=1S/C9H21N3O/c1-4-12(5-2)9(13)7-11-8(3)6-10/h8,11H,4-7,10H2,1-3H3
InChIKeyDJKMHTWDCDKLNV-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.21
Rot. Bonds6

About 2-(1-aminopropan-2-ylamino)-N,N-diethylacetamide

2-(1-aminopropan-2-ylamino)-N,N-diethylacetamide (PubChem CID 103390839) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-(1-aminopropan-2-ylamino)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(1-aminopropan-2-ylamino)-N,N-diethylacetamide
PubChem CID103390839
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name2-(1-aminopropan-2-ylamino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNC(C)CN
InChIInChI=1S/C9H21N3O/c1-4-12(5-2)9(13)7-11-8(3)6-10/h8,11H,4-7,10H2,1-3H3
InChIKeyDJKMHTWDCDKLNV-UHFFFAOYSA-N
XLogP-0.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-(heptan-2-ylamino)acetamide
CID 60688008
3-[[2-(butan-2-ylamino)acetyl]-ethylamino]propanoic acid
CID 62328666
methyl 2-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylpentanoate
CID 54939870
2-[1-(4-bromophenyl)propan-2-ylamino]-N,N-diethylacetamide
CID 103522190
methyl 2-(1-aminopropan-2-ylamino)acetate
CID 88770790
2-[[2-(diethylamino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)propanamide
CID 112687061
2-(butan-2-ylamino)-N-[3-(dimethylamino)propyl]-N-ethylacetamide
CID 102992913
2-[[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide
CID 56638226
2-(1-aminopropan-2-ylamino)-N,N-diethylpropanamide
CID 103388840
(2R)-2-amino-N-[2-(diethylamino)-2-oxoethyl]propanamide
CID 103795937
N,N-diethyl-2-[(1-hydroxy-4-methylpentan-3-yl)amino]acetamide
CID 104696156
2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-ethylacetamide
CID 60954185

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-ylamino)-N,N-diethylacetamide?
The IUPAC name of 2-(1-aminopropan-2-ylamino)-N,N-diethylacetamide (CID 103390839) is 2-(1-aminopropan-2-ylamino)-N,N-diethylacetamide.
What is the SMILES notation for 2-(1-aminopropan-2-ylamino)-N,N-diethylacetamide?
The canonical SMILES for 2-(1-aminopropan-2-ylamino)-N,N-diethylacetamide is CCN(CC)C(=O)CNC(C)CN.
What is the InChIKey of 2-(1-aminopropan-2-ylamino)-N,N-diethylacetamide?
The InChIKey is DJKMHTWDCDKLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-4-12(5-2)9(13)7-11-8(3)6-10/h8,11H,4-7,10H2,1-3H3.
What are the key properties of 2-(1-aminopropan-2-ylamino)-N,N-diethylacetamide?
2-(1-aminopropan-2-ylamino)-N,N-diethylacetamide has a molecular weight of 187.29 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-ylamino)-N,N-diethylacetamide is sourced from PubChem (CID 103390839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).