N-[3-(4-aminobutylamino)propyl]hydroxylamine

C7H19N3O — CID 19356099

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

About N-[3-(4-aminobutylamino)propyl]hydroxylamine

N-[3-(4-aminobutylamino)propyl]hydroxylamine (PubChem CID 19356099) has the molecular formula C7H19N3O and a molecular weight of 161.25 g/mol. Its IUPAC name is N-[3-(4-aminobutylamino)propyl]hydroxylamine.

Molecular Properties

Compound NameN-[3-(4-aminobutylamino)propyl]hydroxylamine
PubChem CID19356099
Molecular FormulaC7H19N3O
Molecular Weight161.25 g/mol
Exact Mass161.15
IUPAC NameN-[3-(4-aminobutylamino)propyl]hydroxylamine
SMILESNCCCCNCCCNO
InChIInChI=1S/C7H19N3O/c8-4-1-2-5-9-6-3-7-10-11/h9-11H,1-8H2
InChIKeyHJCVEJHPLNIMKY-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-[3-(4-aminobutylamino)propyl]hydroxylamine?
The IUPAC name of N-[3-(4-aminobutylamino)propyl]hydroxylamine (CID 19356099) is N-[3-(4-aminobutylamino)propyl]hydroxylamine.
What is the SMILES notation for N-[3-(4-aminobutylamino)propyl]hydroxylamine?
The canonical SMILES for N-[3-(4-aminobutylamino)propyl]hydroxylamine is NCCCCNCCCNO.
What is the InChIKey of N-[3-(4-aminobutylamino)propyl]hydroxylamine?
The InChIKey is HJCVEJHPLNIMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3O/c8-4-1-2-5-9-6-3-7-10-11/h9-11H,1-8H2.
What are the key properties of N-[3-(4-aminobutylamino)propyl]hydroxylamine?
N-[3-(4-aminobutylamino)propyl]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-[3-(4-aminobutylamino)propyl]hydroxylamine is sourced from PubChem (CID 19356099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).