(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide

C10H23N3O — CID 102992823

IUPAC(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide
SMILESCCN(CCCN(C)C)C(=O)[C@H](C)N
InChIInChI=1S/C10H23N3O/c1-5-13(10(14)9(2)11)8-6-7-12(3)4/h9H,5-8,11H2,1-4H3/t9-/m0/s1
InChIKeyNNNBJIHRVMTENH-VIFPVBQESA-N
MW201.31 g/mol
LogP0.13
Rot. Bonds6

About (2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide

(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide (PubChem CID 102992823) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide
PubChem CID102992823
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide
SMILESCCN(CCCN(C)C)C(=O)[C@H](C)N
InChIInChI=1S/C10H23N3O/c1-5-13(10(14)9(2)11)8-6-7-12(3)4/h9H,5-8,11H2,1-4H3/t9-/m0/s1
InChIKeyNNNBJIHRVMTENH-VIFPVBQESA-N
XLogP0.13
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide
CID 102992838
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanamide
CID 102992755
(2R)-2-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide
CID 102992753
6-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-methylheptanamide
CID 102992830
2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanediamide
CID 102992798
2-amino-N,N-dihexylpropanamide
CID 54872127
(2S)-2-amino-N-(2-cyanoethyl)-N-ethylpropanamide
CID 61148414
N-[3-(dimethylamino)propyl]-N-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 102995709
2-amino-N-ethyl-N-(2-methylpropyl)propanamide
CID 43273810
N-[3-(dimethylamino)propyl]-N-ethylcarbamate
CID 57376301
(2R)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylpropanamide
CID 78972200
(2R)-2-amino-N-ethyl-N-(2-methylbutyl)propanamide
CID 79469965

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide?
The IUPAC name of (2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide (CID 102992823) is (2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide is CCN(CCCN(C)C)C(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide?
The InChIKey is NNNBJIHRVMTENH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H23N3O/c1-5-13(10(14)9(2)11)8-6-7-12(3)4/h9H,5-8,11H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide?
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide has a molecular weight of 201.31 g/mol, XLogP of 0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide is sourced from PubChem (CID 102992823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).