N-[4-(3-aminopropylamino)butyl]acetamide;hydron;dichloride

C9H23Cl2N3O — CID 74764694

IUPACN-[4-(3-aminopropylamino)butyl]acetamide;hydron;dichloride
SMILESCC(=O)NCCCCNCCCN.[Cl-].[Cl-].[H+].[H+]
InChIInChI=1S/C9H21N3O.2ClH/c1-9(13)12-8-3-2-6-11-7-4-5-10;;/h11H,2-8,10H2,1H3,(H,12,13);2*1H
InChIKeyBWGUIRARVGYOIR-UHFFFAOYSA-N
MW260.21 g/mol
LogP-5.93
Rot. Bonds8

About N-[4-(3-aminopropylamino)butyl]acetamide;hydron;dichloride

N-[4-(3-aminopropylamino)butyl]acetamide;hydron;dichloride (PubChem CID 74764694) has the molecular formula C9H23Cl2N3O and a molecular weight of 260.21 g/mol. Its IUPAC name is N-[4-(3-aminopropylamino)butyl]acetamide;hydron;dichloride.

Molecular Properties

Compound NameN-[4-(3-aminopropylamino)butyl]acetamide;hydron;dichloride
PubChem CID74764694
Molecular FormulaC9H23Cl2N3O
Molecular Weight260.21 g/mol
Exact Mass259.12
IUPAC NameN-[4-(3-aminopropylamino)butyl]acetamide;hydron;dichloride
SMILESCC(=O)NCCCCNCCCN.[Cl-].[Cl-].[H+].[H+]
InChIInChI=1S/C9H21N3O.2ClH/c1-9(13)12-8-3-2-6-11-7-4-5-10;;/h11H,2-8,10H2,1H3,(H,12,13);2*1H
InChIKeyBWGUIRARVGYOIR-UHFFFAOYSA-N
XLogP-5.93
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 5-5.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(3-aminopropylamino)butylamino]ethyl]acetamide
CID 59687521
N-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide
CID 59687519
N-[2-(4-aminobutylamino)ethyl]acetamide;N-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide;N-[2-(2-aminoethylamino)ethyl]acetamide;N-[3-(2-aminoethylamino)propyl]acetamide;N-[3-[4-[3-(2-aminoethylamino)propylamino]butylamino]propyl]acetamide;N-[2-[3-(2-aminoethylamino)propylamino]ethyl]acetamide;N-[3-[3-(2-aminoethylamino)propylamino]propyl]acetamide;N-[2-(3-aminopropylamino)ethyl]acetamide;N-[2-[2-(3-aminopropylamino)ethylamino]ethyl]acetamide
CID 159062074
N-[2-(4-aminobutylamino)ethyl]acetamide;N-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide;N-[2-(2-aminoethylamino)ethyl]acetamide;N-[3-(2-aminoethylamino)propyl]acetamide;N-[3-[4-[3-(2-aminoethylamino)propylamino]butylamino]propyl]acetamide;N-[2-[3-(2-aminoethylamino)propylamino]ethyl]acetamide;N-[3-[3-(2-aminoethylamino)propylamino]propyl]acetamide;N-[2-[4-(3-aminopropylamino)butylamino]ethyl]acetamide;N-[2-(3-aminopropylamino)ethyl]acetamide;N-[2-[2-(3-aminopropylamino)ethylamino]ethyl]acetamide
CID 159263128
N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide
CID 161046106
N-[4-(4-acetamidobutylamino)butyl]acetamide
CID 10332037
2-(2-acetamidoethylsulfanyl)-N-[4-(3-aminopropylamino)butyl]acetamide
CID 118721820
acetic acid;N'-(3-aminopropyl)butane-1,4-diamine
CID 173249566
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide
CID 154982765
N-[3-[3-(3-aminopropylamino)propylamino]propyl]-2-methylpropanamide
CID 154594320
N-[5-[5-(hexylamino)pentylamino]pentyl]acetamide
CID 58435545
N-[4-(3-aminopropylamino)butyl]-2,2-dihydroxyacetamide;trihydrochloride
CID 135056308

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopropylamino)butyl]acetamide;hydron;dichloride?
The IUPAC name of N-[4-(3-aminopropylamino)butyl]acetamide;hydron;dichloride (CID 74764694) is N-[4-(3-aminopropylamino)butyl]acetamide;hydron;dichloride.
What is the SMILES notation for N-[4-(3-aminopropylamino)butyl]acetamide;hydron;dichloride?
The canonical SMILES for N-[4-(3-aminopropylamino)butyl]acetamide;hydron;dichloride is CC(=O)NCCCCNCCCN.[Cl-].[Cl-].[H+].[H+].
What is the InChIKey of N-[4-(3-aminopropylamino)butyl]acetamide;hydron;dichloride?
The InChIKey is BWGUIRARVGYOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O.2ClH/c1-9(13)12-8-3-2-6-11-7-4-5-10;;/h11H,2-8,10H2,1H3,(H,12,13);2*1H.
What are the key properties of N-[4-(3-aminopropylamino)butyl]acetamide;hydron;dichloride?
N-[4-(3-aminopropylamino)butyl]acetamide;hydron;dichloride has a molecular weight of 260.21 g/mol, XLogP of -5.93, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopropylamino)butyl]acetamide;hydron;dichloride is sourced from PubChem (CID 74764694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).