N-[4-(3-aminopropylamino)butyl]hydroxylamine

C7H19N3O — CID 87998915

IUPACN-[4-(3-aminopropylamino)butyl]hydroxylamine
SMILESNCCCNCCCCNO
InChIInChI=1S/C7H19N3O/c8-4-3-6-9-5-1-2-7-10-11/h9-11H,1-8H2
InChIKeyAKNIVKFHPQYKPF-UHFFFAOYSA-N
MW161.25 g/mol
LogP-0.32
Rot. Bonds8

About N-[4-(3-aminopropylamino)butyl]hydroxylamine

N-[4-(3-aminopropylamino)butyl]hydroxylamine (PubChem CID 87998915) has the molecular formula C7H19N3O and a molecular weight of 161.25 g/mol. Its IUPAC name is N-[4-(3-aminopropylamino)butyl]hydroxylamine.

Molecular Properties

Compound NameN-[4-(3-aminopropylamino)butyl]hydroxylamine
PubChem CID87998915
Molecular FormulaC7H19N3O
Molecular Weight161.25 g/mol
Exact Mass161.15
IUPAC NameN-[4-(3-aminopropylamino)butyl]hydroxylamine
SMILESNCCCNCCCCNO
InChIInChI=1S/C7H19N3O/c8-4-3-6-9-5-1-2-7-10-11/h9-11H,1-8H2
InChIKeyAKNIVKFHPQYKPF-UHFFFAOYSA-N
XLogP-0.32
TPSA70.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[4-(3-aminopropylamino)butyl]hydroxylamine?
The IUPAC name of N-[4-(3-aminopropylamino)butyl]hydroxylamine (CID 87998915) is N-[4-(3-aminopropylamino)butyl]hydroxylamine.
What is the SMILES notation for N-[4-(3-aminopropylamino)butyl]hydroxylamine?
The canonical SMILES for N-[4-(3-aminopropylamino)butyl]hydroxylamine is NCCCNCCCCNO.
What is the InChIKey of N-[4-(3-aminopropylamino)butyl]hydroxylamine?
The InChIKey is AKNIVKFHPQYKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3O/c8-4-3-6-9-5-1-2-7-10-11/h9-11H,1-8H2.
What are the key properties of N-[4-(3-aminopropylamino)butyl]hydroxylamine?
N-[4-(3-aminopropylamino)butyl]hydroxylamine has a molecular weight of 161.25 g/mol, XLogP of -0.32, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopropylamino)butyl]hydroxylamine is sourced from PubChem (CID 87998915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).