2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanediamide

C11H24N4O2 — CID 102992798

IUPAC2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanediamide
SMILESCCN(CCCN(C)C)C(=O)C(N)CC(N)=O
InChIInChI=1S/C11H24N4O2/c1-4-15(7-5-6-14(2)3)11(17)9(12)8-10(13)16/h9H,4-8,12H2,1-3H3,(H2,13,16)
InChIKeyNWSVKHXJLCDZJX-UHFFFAOYSA-N
MW244.34 g/mol
LogP-1.01
Rot. Bonds8

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

2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanediamide (PubChem CID 102992798) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanediamide.

Molecular Properties

Compound Name2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanediamide
PubChem CID102992798
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanediamide
SMILESCCN(CCCN(C)C)C(=O)C(N)CC(N)=O
InChIInChI=1S/C11H24N4O2/c1-4-15(7-5-6-14(2)3)11(17)9(12)8-10(13)16/h9H,4-8,12H2,1-3H3,(H2,13,16)
InChIKeyNWSVKHXJLCDZJX-UHFFFAOYSA-N
XLogP-1.01
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-(3-oxopiperazin-2-yl)acetamide
CID 2955610
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]propanamide
CID 10989432
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]butanediamide
CID 11120667
N-isobutyl-N-methyl-2-(1-methyl-3-oxo-2-piperazinyl)acetamide
CID 16191738
(S)-3-amino-4-oxo-4-(pyrrolidin-1-yl)butanamide
CID 11229192
(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)butanamide
CID 11240870
2-[Acetyl(propyl)amino]butanamide
CID 11275461
3-Amino-4-oxo-4-pyrrolidin-1-yl-butyramide
CID 9855673
(2S)-2-[butyl(propanoyl)amino]butanamide
CID 11333375
N-{3-[Di(propan-2-yl)amino]propyl}-2-(2-oxopyrrolidin-1-yl)acetamide
CID 44374738
Butanediamide, 2-amino-N,N'-diheptyl-N,N'-dimethyl-, (s)-
CID 22294490
N',N'-dimethyl-N-[2-(methylamino)-2-oxo-ethyl]butanediamide
CID 391816

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanediamide?
The IUPAC name of 2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanediamide (CID 102992798) is 2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanediamide.
What is the SMILES notation for 2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanediamide?
The canonical SMILES for 2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanediamide is CCN(CCCN(C)C)C(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanediamide?
The InChIKey is NWSVKHXJLCDZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-4-15(7-5-6-14(2)3)11(17)9(12)8-10(13)16/h9H,4-8,12H2,1-3H3,(H2,13,16).
What are the key properties of 2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanediamide?
2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanediamide has a molecular weight of 244.34 g/mol, XLogP of -1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanediamide is sourced from PubChem (CID 102992798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).