bis(O-(4-aminobutyl)hydroxylamine);dihydrochloride

C8H26Cl2N4O2 — CID 173302500

IUPACbis(O-(4-aminobutyl)hydroxylamine);dihydrochloride
SMILESCl.Cl.NCCCCON.NCCCCON
InChIInChI=1S/2C4H12N2O.2ClH/c2*5-3-1-2-4-7-6;;/h2*1-6H2;2*1H
InChIKeyQZMMZZZTBCRVPN-UHFFFAOYSA-N
MW281.23 g/mol
LogP0.07
Rot. Bonds8

About bis(O-(4-aminobutyl)hydroxylamine);dihydrochloride

bis(O-(4-aminobutyl)hydroxylamine);dihydrochloride (PubChem CID 173302500) has the molecular formula C8H26Cl2N4O2 and a molecular weight of 281.23 g/mol. Its IUPAC name is bis(O-(4-aminobutyl)hydroxylamine);dihydrochloride.

Molecular Properties

Compound Namebis(O-(4-aminobutyl)hydroxylamine);dihydrochloride
PubChem CID173302500
Molecular FormulaC8H26Cl2N4O2
Molecular Weight281.23 g/mol
Exact Mass280.14
IUPAC Namebis(O-(4-aminobutyl)hydroxylamine);dihydrochloride
SMILESCl.Cl.NCCCCON.NCCCCON
InChIInChI=1S/2C4H12N2O.2ClH/c2*5-3-1-2-4-7-6;;/h2*1-6H2;2*1H
InChIKeyQZMMZZZTBCRVPN-UHFFFAOYSA-N
XLogP0.07
TPSA122.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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Related Compounds

O-(13-aminotridecyl)hydroxylamine
CID 174386502
O-(12-aminooxydodecyl)hydroxylamine
CID 134994458
4-[2-(4-aminobutoxy)ethoxy]butan-1-amine
CID 87873641
11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
4-ethoxybutan-1-amine;hydrochloride
CID 87771260
O-(16-aminohexadecylperoxyperoxyperoxy)hydroxylamine;hydrochloride
CID 168860339
ethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 174976752
O-nonadecylhydroxylamine
CID 59050271
5-(2-aminoethoxy)pentan-1-amine
CID 58473832
O-octacosylhydroxylamine
CID 151286755
6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine
CID 87252227
azane;O-butylhydroxylamine;dihydrochloride
CID 19968679

Frequently Asked Questions

What is the IUPAC name of bis(O-(4-aminobutyl)hydroxylamine);dihydrochloride?
The IUPAC name of bis(O-(4-aminobutyl)hydroxylamine);dihydrochloride (CID 173302500) is bis(O-(4-aminobutyl)hydroxylamine);dihydrochloride.
What is the SMILES notation for bis(O-(4-aminobutyl)hydroxylamine);dihydrochloride?
The canonical SMILES for bis(O-(4-aminobutyl)hydroxylamine);dihydrochloride is Cl.Cl.NCCCCON.NCCCCON.
What is the InChIKey of bis(O-(4-aminobutyl)hydroxylamine);dihydrochloride?
The InChIKey is QZMMZZZTBCRVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H12N2O.2ClH/c2*5-3-1-2-4-7-6;;/h2*1-6H2;2*1H.
What are the key properties of bis(O-(4-aminobutyl)hydroxylamine);dihydrochloride?
bis(O-(4-aminobutyl)hydroxylamine);dihydrochloride has a molecular weight of 281.23 g/mol, XLogP of 0.07, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(O-(4-aminobutyl)hydroxylamine);dihydrochloride is sourced from PubChem (CID 173302500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).