3-(3-aminopropanoylamino)propyl-dimethylazanium

C8H20N3O+ — CID 131839627

IUPAC3-(3-aminopropanoylamino)propyl-dimethylazanium
SMILESC[NH+](C)CCCNC(=O)CCN
InChIInChI=1S/C8H19N3O/c1-11(2)7-3-6-10-8(12)4-5-9/h3-7,9H2,1-2H3,(H,10,12)/p+1
InChIKeyCKBSAZMXMFCAGN-UHFFFAOYSA-O
MW174.27 g/mol
LogP-2.01
Rot. Bonds6

About 3-(3-aminopropanoylamino)propyl-dimethylazanium

3-(3-aminopropanoylamino)propyl-dimethylazanium (PubChem CID 131839627) has the molecular formula C8H20N3O+ and a molecular weight of 174.27 g/mol. Its IUPAC name is 3-(3-aminopropanoylamino)propyl-dimethylazanium.

Molecular Properties

Compound Name3-(3-aminopropanoylamino)propyl-dimethylazanium
PubChem CID131839627
Molecular FormulaC8H20N3O+
Molecular Weight174.27 g/mol
Exact Mass174.16
IUPAC Name3-(3-aminopropanoylamino)propyl-dimethylazanium
SMILESC[NH+](C)CCCNC(=O)CCN
InChIInChI=1S/C8H19N3O/c1-11(2)7-3-6-10-8(12)4-5-9/h3-7,9H2,1-2H3,(H,10,12)/p+1
InChIKeyCKBSAZMXMFCAGN-UHFFFAOYSA-O
XLogP-2.01
TPSA59.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 5-2.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N1-Acetylspermine
CID 916
N8-Acetylspermidine
CID 123689
N1-Acetylspermidine
CID 496
N1,N12-Diacetylspermine
CID 132680
N-butylbutanamide
CID 347960
Acetamidopropyl trimonium chloride
CID 57483053
N(1)-acetylsperminium(3+)
CID 25201943
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-(3-aminopropyl)acetamide
CID 13793967
3-Amino-N-methylpropanamide
CID 14889074

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropanoylamino)propyl-dimethylazanium?
The IUPAC name of 3-(3-aminopropanoylamino)propyl-dimethylazanium (CID 131839627) is 3-(3-aminopropanoylamino)propyl-dimethylazanium.
What is the SMILES notation for 3-(3-aminopropanoylamino)propyl-dimethylazanium?
The canonical SMILES for 3-(3-aminopropanoylamino)propyl-dimethylazanium is C[NH+](C)CCCNC(=O)CCN.
What is the InChIKey of 3-(3-aminopropanoylamino)propyl-dimethylazanium?
The InChIKey is CKBSAZMXMFCAGN-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H19N3O/c1-11(2)7-3-6-10-8(12)4-5-9/h3-7,9H2,1-2H3,(H,10,12)/p+1.
What are the key properties of 3-(3-aminopropanoylamino)propyl-dimethylazanium?
3-(3-aminopropanoylamino)propyl-dimethylazanium has a molecular weight of 174.27 g/mol, XLogP of -2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropanoylamino)propyl-dimethylazanium is sourced from PubChem (CID 131839627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).