4-acetamidobutyl(3-azaniumylpropyl)azanium

C9H23N3O+2 — CID 25201125

IUPAC4-acetamidobutyl(3-azaniumylpropyl)azanium
SMILESCC(=O)NCCCC[NH2+]CCC[NH3+]
InChIInChI=1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13)/p+2
InChIKeyFONIWJIDLJEJTL-UHFFFAOYSA-P
MW189.30 g/mol
LogP-1.90
Rot. Bonds8

About 4-acetamidobutyl(3-azaniumylpropyl)azanium

4-acetamidobutyl(3-azaniumylpropyl)azanium (PubChem CID 25201125) has the molecular formula C9H23N3O+2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-acetamidobutyl(3-azaniumylpropyl)azanium.

Molecular Properties

Compound Name4-acetamidobutyl(3-azaniumylpropyl)azanium
PubChem CID25201125
Molecular FormulaC9H23N3O+2
Molecular Weight189.30 g/mol
Exact Mass189.18
IUPAC Name4-acetamidobutyl(3-azaniumylpropyl)azanium
SMILESCC(=O)NCCCC[NH2+]CCC[NH3+]
InChIInChI=1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13)/p+2
InChIKeyFONIWJIDLJEJTL-UHFFFAOYSA-P
XLogP-1.90
TPSA73.35 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 5-1.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N1-Acetylspermine
CID 916
Hexamethylene Bisacetamide
CID 3616
N-Acetylputrescine
CID 122356
N8-Acetylspermidine
CID 123689
N1-Acetylspermidine
CID 496
N-Acetylcadaverine
CID 189087
N-Propylacetamide
CID 21407
N-Butylacetamide
CID 61265
N1,N12-Diacetylspermine
CID 132680
N-Hexylacetamide
CID 24129
N-butylbutanamide
CID 347960
N-(5-(Acetylamino)pentylene)acetamide
CID 100784

Frequently Asked Questions

What is the IUPAC name of 4-acetamidobutyl(3-azaniumylpropyl)azanium?
The IUPAC name of 4-acetamidobutyl(3-azaniumylpropyl)azanium (CID 25201125) is 4-acetamidobutyl(3-azaniumylpropyl)azanium.
What is the SMILES notation for 4-acetamidobutyl(3-azaniumylpropyl)azanium?
The canonical SMILES for 4-acetamidobutyl(3-azaniumylpropyl)azanium is CC(=O)NCCCC[NH2+]CCC[NH3+].
What is the InChIKey of 4-acetamidobutyl(3-azaniumylpropyl)azanium?
The InChIKey is FONIWJIDLJEJTL-UHFFFAOYSA-P. The full InChI is InChI=1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13)/p+2.
What are the key properties of 4-acetamidobutyl(3-azaniumylpropyl)azanium?
4-acetamidobutyl(3-azaniumylpropyl)azanium has a molecular weight of 189.30 g/mol, XLogP of -1.90, 8 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamidobutyl(3-azaniumylpropyl)azanium is sourced from PubChem (CID 25201125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).