N-[3-(diethylamino)propyl]hydroxylamine;ethane;molecular hydrogen

C9H26N2O — CID 145166805

IUPACN-[3-(diethylamino)propyl]hydroxylamine;ethane;molecular hydrogen
SMILESCC.CCN(CC)CCCNO.[H][H]
InChIInChI=1S/C7H18N2O.C2H6.H2/c1-3-9(4-2)7-5-6-8-10;1-2;/h8,10H,3-7H2,1-2H3;1-2H3;1H
InChIKeyLNTRRKXZCPYZDG-UHFFFAOYSA-N
MW178.32 g/mol
LogP1.97
Rot. Bonds6

About N-[3-(diethylamino)propyl]hydroxylamine;ethane;molecular hydrogen

N-[3-(diethylamino)propyl]hydroxylamine;ethane;molecular hydrogen (PubChem CID 145166805) has the molecular formula C9H26N2O and a molecular weight of 178.32 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]hydroxylamine;ethane;molecular hydrogen.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]hydroxylamine;ethane;molecular hydrogen
PubChem CID145166805
Molecular FormulaC9H26N2O
Molecular Weight178.32 g/mol
Exact Mass178.20
IUPAC NameN-[3-(diethylamino)propyl]hydroxylamine;ethane;molecular hydrogen
SMILESCC.CCN(CC)CCCNO.[H][H]
InChIInChI=1S/C7H18N2O.C2H6.H2/c1-3-9(4-2)7-5-6-8-10;1-2;/h8,10H,3-7H2,1-2H3;1-2H3;1H
InChIKeyLNTRRKXZCPYZDG-UHFFFAOYSA-N
XLogP1.97
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N',N'-diethyl-N-methylpropane-1,3-diamine;molecular hydrogen;propane
CID 156874721
bis(3-(diethylamino)propan-1-ol);zirconium
CID 158788459
azane;N-hexylhydroxylamine;molecular hydrogen
CID 162388003
6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol
CID 125481029
N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine
CID 23131522
N-(2-bromoprop-2-enyl)-N',N'-diethylpropane-1,3-diamine
CID 60872428
N-[3-(diethylamino)propyl]-2,2-difluoroacetamide
CID 103600714
N-cyclopropyl-N',N'-diethylpropane-1,3-diamine
CID 60866749
ethane;N-hexylhydroxylamine
CID 23139656
N'-ethyl-N-methyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine
CID 142226092
N-decyl-N',N'-diethylpropane-1,3-diamine;octadecanoic acid
CID 157321118
2-[ethyl-[3-(propylamino)propyl]amino]ethanol
CID 61387164

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]hydroxylamine;ethane;molecular hydrogen?
The IUPAC name of N-[3-(diethylamino)propyl]hydroxylamine;ethane;molecular hydrogen (CID 145166805) is N-[3-(diethylamino)propyl]hydroxylamine;ethane;molecular hydrogen.
What is the SMILES notation for N-[3-(diethylamino)propyl]hydroxylamine;ethane;molecular hydrogen?
The canonical SMILES for N-[3-(diethylamino)propyl]hydroxylamine;ethane;molecular hydrogen is CC.CCN(CC)CCCNO.[H][H].
What is the InChIKey of N-[3-(diethylamino)propyl]hydroxylamine;ethane;molecular hydrogen?
The InChIKey is LNTRRKXZCPYZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O.C2H6.H2/c1-3-9(4-2)7-5-6-8-10;1-2;/h8,10H,3-7H2,1-2H3;1-2H3;1H.
What are the key properties of N-[3-(diethylamino)propyl]hydroxylamine;ethane;molecular hydrogen?
N-[3-(diethylamino)propyl]hydroxylamine;ethane;molecular hydrogen has a molecular weight of 178.32 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]hydroxylamine;ethane;molecular hydrogen is sourced from PubChem (CID 145166805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).