N-methyl-3-(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide;hydrochloride

C9H20ClN3O2 — CID 155822781

IUPACN-methyl-3-(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide;hydrochloride
SMILESCNCCC(=O)N(C)CCC(=O)NC.Cl
InChIInChI=1S/C9H19N3O2.ClH/c1-10-6-4-9(14)12(3)7-5-8(13)11-2;/h10H,4-7H2,1-3H3,(H,11,13);1H
InChIKeyFWASSUAXGIDSJI-UHFFFAOYSA-N
MW237.73 g/mol
LogP-0.39
Rot. Bonds6

About N-methyl-3-(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide;hydrochloride

N-methyl-3-(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide;hydrochloride (PubChem CID 155822781) has the molecular formula C9H20ClN3O2 and a molecular weight of 237.73 g/mol. Its IUPAC name is N-methyl-3-(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-3-(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide;hydrochloride
PubChem CID155822781
Molecular FormulaC9H20ClN3O2
Molecular Weight237.73 g/mol
Exact Mass237.12
IUPAC NameN-methyl-3-(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide;hydrochloride
SMILESCNCCC(=O)N(C)CCC(=O)NC.Cl
InChIInChI=1S/C9H19N3O2.ClH/c1-10-6-4-9(14)12(3)7-5-8(13)11-2;/h10H,4-7H2,1-3H3,(H,11,13);1H
InChIKeyFWASSUAXGIDSJI-UHFFFAOYSA-N
XLogP-0.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N8-Acetylspermidine
CID 123689
N1-Acetylspermidine
CID 496
N1,N12-Diacetylspermine
CID 132680
Acetamidopropyl trimonium chloride
CID 57483053
3-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]propanamide
CID 9816969
N-[4-(propanoylamino)butyl]propanamide
CID 2167047
N8-Acetylspermidine dihydrochloride
CID 214847
N(1)-acetylspermidinium(2+)
CID 25203502
N-[3-[3-(3-aminopropylamino)propylamino]propyl]acetamide
CID 10176991
N-(3-acetamidopropyl)acetamide
CID 5147555
N-[4-(butanoylamino)butyl]butanamide
CID 2166864
Spermidine, N,N',N''-triacetyl-
CID 14365608

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide;hydrochloride?
The IUPAC name of N-methyl-3-(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide;hydrochloride (CID 155822781) is N-methyl-3-(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide;hydrochloride.
What is the SMILES notation for N-methyl-3-(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide;hydrochloride?
The canonical SMILES for N-methyl-3-(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide;hydrochloride is CNCCC(=O)N(C)CCC(=O)NC.Cl.
What is the InChIKey of N-methyl-3-(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide;hydrochloride?
The InChIKey is FWASSUAXGIDSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2.ClH/c1-10-6-4-9(14)12(3)7-5-8(13)11-2;/h10H,4-7H2,1-3H3,(H,11,13);1H.
What are the key properties of N-methyl-3-(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide;hydrochloride?
N-methyl-3-(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide;hydrochloride has a molecular weight of 237.73 g/mol, XLogP of -0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide;hydrochloride is sourced from PubChem (CID 155822781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).