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

C6H17N3O — CID 21396648

IUPACN-[3-(3-aminopropylamino)propyl]hydroxylamine
SMILESNCCCNCCCNO
InChIInChI=1S/C6H17N3O/c7-3-1-4-8-5-2-6-9-10/h8-10H,1-7H2
InChIKeyCUNJKOABHSCUCD-UHFFFAOYSA-N
MW147.22 g/mol
LogP-0.71
Rot. Bonds7

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

N-[3-(3-aminopropylamino)propyl]hydroxylamine (PubChem CID 21396648) has the molecular formula C6H17N3O and a molecular weight of 147.22 g/mol. Its IUPAC name is N-[3-(3-aminopropylamino)propyl]hydroxylamine.

Molecular Properties

Compound NameN-[3-(3-aminopropylamino)propyl]hydroxylamine
PubChem CID21396648
Molecular FormulaC6H17N3O
Molecular Weight147.22 g/mol
Exact Mass147.14
IUPAC NameN-[3-(3-aminopropylamino)propyl]hydroxylamine
SMILESNCCCNCCCNO
InChIInChI=1S/C6H17N3O/c7-3-1-4-8-5-2-6-9-10/h8-10H,1-7H2
InChIKeyCUNJKOABHSCUCD-UHFFFAOYSA-N
XLogP-0.71
TPSA70.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.71
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-(3-aminopropylamino)propyl]hydroxylamine?
The IUPAC name of N-[3-(3-aminopropylamino)propyl]hydroxylamine (CID 21396648) is N-[3-(3-aminopropylamino)propyl]hydroxylamine.
What is the SMILES notation for N-[3-(3-aminopropylamino)propyl]hydroxylamine?
The canonical SMILES for N-[3-(3-aminopropylamino)propyl]hydroxylamine is NCCCNCCCNO.
What is the InChIKey of N-[3-(3-aminopropylamino)propyl]hydroxylamine?
The InChIKey is CUNJKOABHSCUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3O/c7-3-1-4-8-5-2-6-9-10/h8-10H,1-7H2.
What are the key properties of N-[3-(3-aminopropylamino)propyl]hydroxylamine?
N-[3-(3-aminopropylamino)propyl]hydroxylamine has a molecular weight of 147.22 g/mol, XLogP of -0.71, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopropylamino)propyl]hydroxylamine is sourced from PubChem (CID 21396648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).