N-[4-(3-aminopropylamino)butyl]-2,2-dihydroxyacetamide;trihydrochloride

C9H24Cl3N3O3 — CID 135056308

IUPACN-[4-(3-aminopropylamino)butyl]-2,2-dihydroxyacetamide;trihydrochloride
SMILESCl.Cl.Cl.NCCCNCCCCNC(=O)C(O)O
InChIInChI=1S/C9H21N3O3.3ClH/c10-4-3-6-11-5-1-2-7-12-8(13)9(14)15;;;/h9,11,14-15H,1-7,10H2,(H,12,13);3*1H
InChIKeyZEOBWMUAWYYPNT-UHFFFAOYSA-N
MW328.67 g/mol
LogP-0.60
Rot. Bonds9

About N-[4-(3-aminopropylamino)butyl]-2,2-dihydroxyacetamide;trihydrochloride

N-[4-(3-aminopropylamino)butyl]-2,2-dihydroxyacetamide;trihydrochloride (PubChem CID 135056308) has the molecular formula C9H24Cl3N3O3 and a molecular weight of 328.67 g/mol. Its IUPAC name is N-[4-(3-aminopropylamino)butyl]-2,2-dihydroxyacetamide;trihydrochloride.

Molecular Properties

Compound NameN-[4-(3-aminopropylamino)butyl]-2,2-dihydroxyacetamide;trihydrochloride
PubChem CID135056308
Molecular FormulaC9H24Cl3N3O3
Molecular Weight328.67 g/mol
Exact Mass327.09
IUPAC NameN-[4-(3-aminopropylamino)butyl]-2,2-dihydroxyacetamide;trihydrochloride
SMILESCl.Cl.Cl.NCCCNCCCCNC(=O)C(O)O
InChIInChI=1S/C9H21N3O3.3ClH/c10-4-3-6-11-5-1-2-7-12-8(13)9(14)15;;;/h9,11,14-15H,1-7,10H2,(H,12,13);3*1H
InChIKeyZEOBWMUAWYYPNT-UHFFFAOYSA-N
XLogP-0.60
TPSA107.61 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.67
LogP ≤ 5-0.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide
CID 154982765
N-[3-[3-(3-aminopropylamino)propylamino]propyl]-2-methylpropanamide
CID 154594320
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-hydroxypropanamide
CID 10924229
N-(3-aminopropyl)-2-methylpropanamide;hydrochloride
CID 71757297
2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
CID 23400695
N-[4-(3-aminopropylamino)butyl]acetamide;hydron;dichloride
CID 74764694
(2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide
CID 11022527
acetic acid;N'-(3-aminopropyl)butane-1,4-diamine
CID 173249566
N-[2-[4-(3-aminopropylamino)butylamino]ethyl]acetamide
CID 59687521
2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(butylamino)hexanamide
CID 23400711
3-amino-N-[4-(3-aminopropylamino)butyl]-10-(diaminomethylideneamino)-2-hydroxy-4-oxodecanamide;trihydrochloride
CID 173398796
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopropylamino)butyl]-2,2-dihydroxyacetamide;trihydrochloride?
The IUPAC name of N-[4-(3-aminopropylamino)butyl]-2,2-dihydroxyacetamide;trihydrochloride (CID 135056308) is N-[4-(3-aminopropylamino)butyl]-2,2-dihydroxyacetamide;trihydrochloride.
What is the SMILES notation for N-[4-(3-aminopropylamino)butyl]-2,2-dihydroxyacetamide;trihydrochloride?
The canonical SMILES for N-[4-(3-aminopropylamino)butyl]-2,2-dihydroxyacetamide;trihydrochloride is Cl.Cl.Cl.NCCCNCCCCNC(=O)C(O)O.
What is the InChIKey of N-[4-(3-aminopropylamino)butyl]-2,2-dihydroxyacetamide;trihydrochloride?
The InChIKey is ZEOBWMUAWYYPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3.3ClH/c10-4-3-6-11-5-1-2-7-12-8(13)9(14)15;;;/h9,11,14-15H,1-7,10H2,(H,12,13);3*1H.
What are the key properties of N-[4-(3-aminopropylamino)butyl]-2,2-dihydroxyacetamide;trihydrochloride?
N-[4-(3-aminopropylamino)butyl]-2,2-dihydroxyacetamide;trihydrochloride has a molecular weight of 328.67 g/mol, XLogP of -0.60, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopropylamino)butyl]-2,2-dihydroxyacetamide;trihydrochloride is sourced from PubChem (CID 135056308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).