N-[3-[4-(3-aminopropylamino)butylamino]propyl]hydroxylamine

C10H26N4O — CID 10443396

IUPACN-[3-[4-(3-aminopropylamino)butylamino]propyl]hydroxylamine
SMILESNCCCNCCCCNCCCNO
InChIInChI=1S/C10H26N4O/c11-5-3-8-12-6-1-2-7-13-9-4-10-14-15/h12-15H,1-11H2
InChIKeyJQRKNGKUKGQHDI-UHFFFAOYSA-N
MW218.34 g/mol
LogP-0.34
Rot. Bonds12

About N-[3-[4-(3-aminopropylamino)butylamino]propyl]hydroxylamine

N-[3-[4-(3-aminopropylamino)butylamino]propyl]hydroxylamine (PubChem CID 10443396) has the molecular formula C10H26N4O and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[3-[4-(3-aminopropylamino)butylamino]propyl]hydroxylamine.

Molecular Properties

Compound NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]hydroxylamine
PubChem CID10443396
Molecular FormulaC10H26N4O
Molecular Weight218.34 g/mol
Exact Mass218.21
IUPAC NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]hydroxylamine
SMILESNCCCNCCCCNCCCNO
InChIInChI=1S/C10H26N4O/c11-5-3-8-12-6-1-2-7-13-9-4-10-14-15/h12-15H,1-11H2
InChIKeyJQRKNGKUKGQHDI-UHFFFAOYSA-N
XLogP-0.34
TPSA82.34 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 5-0.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]hydroxylamine?
The IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]hydroxylamine (CID 10443396) is N-[3-[4-(3-aminopropylamino)butylamino]propyl]hydroxylamine.
What is the SMILES notation for N-[3-[4-(3-aminopropylamino)butylamino]propyl]hydroxylamine?
The canonical SMILES for N-[3-[4-(3-aminopropylamino)butylamino]propyl]hydroxylamine is NCCCNCCCCNCCCNO.
What is the InChIKey of N-[3-[4-(3-aminopropylamino)butylamino]propyl]hydroxylamine?
The InChIKey is JQRKNGKUKGQHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4O/c11-5-3-8-12-6-1-2-7-13-9-4-10-14-15/h12-15H,1-11H2.
What are the key properties of N-[3-[4-(3-aminopropylamino)butylamino]propyl]hydroxylamine?
N-[3-[4-(3-aminopropylamino)butylamino]propyl]hydroxylamine has a molecular weight of 218.34 g/mol, XLogP of -0.34, 12 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-aminopropylamino)butylamino]propyl]hydroxylamine is sourced from PubChem (CID 10443396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).