N-(7-aminoheptyl)thiohydroxylamine;ethane

C9H24N2S — CID 176551863

IUPACN-(7-aminoheptyl)thiohydroxylamine;ethane
SMILESCC.NCCCCCCCNS
InChIInChI=1S/C7H18N2S.C2H6/c8-6-4-2-1-3-5-7-9-10;1-2/h9-10H,1-8H2;1-2H3
InChIKeyABBBAXOOCVEVEB-UHFFFAOYSA-N
MW192.37 g/mol
LogP2.36
Rot. Bonds7

About N-(7-aminoheptyl)thiohydroxylamine;ethane

N-(7-aminoheptyl)thiohydroxylamine;ethane (PubChem CID 176551863) has the molecular formula C9H24N2S and a molecular weight of 192.37 g/mol. Its IUPAC name is N-(7-aminoheptyl)thiohydroxylamine;ethane.

Molecular Properties

Compound NameN-(7-aminoheptyl)thiohydroxylamine;ethane
PubChem CID176551863
Molecular FormulaC9H24N2S
Molecular Weight192.37 g/mol
Exact Mass192.17
IUPAC NameN-(7-aminoheptyl)thiohydroxylamine;ethane
SMILESCC.NCCCCCCCNS
InChIInChI=1S/C7H18N2S.C2H6/c8-6-4-2-1-3-5-7-9-10;1-2/h9-10H,1-8H2;1-2H3
InChIKeyABBBAXOOCVEVEB-UHFFFAOYSA-N
XLogP2.36
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.37
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(7-aminoheptyl)thiohydroxylamine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
hexane-1,6-diamine;methanamine
CID 174275715
13-[2-(3-aminopropyl)hydrazinyl]tridecan-1-amine
CID 18353517
17-hydrazinylheptadecan-1-amine
CID 177027396
octatriacontane-1,38-diamine
CID 54235792
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
heptan-1-amine;N-nonylnonan-1-amine
CID 175163208
N'-pentyltridecane-1,13-diamine
CID 174397381
N'-dodecylheptane-1,7-diamine
CID 122537296
N'-propan-2-yloctane-1,8-diamine
CID 138605826
hexan-1-amine;N-hexylhexan-1-amine
CID 118077352

Frequently Asked Questions

What is the IUPAC name of N-(7-aminoheptyl)thiohydroxylamine;ethane?
The IUPAC name of N-(7-aminoheptyl)thiohydroxylamine;ethane (CID 176551863) is N-(7-aminoheptyl)thiohydroxylamine;ethane.
What is the SMILES notation for N-(7-aminoheptyl)thiohydroxylamine;ethane?
The canonical SMILES for N-(7-aminoheptyl)thiohydroxylamine;ethane is CC.NCCCCCCCNS.
What is the InChIKey of N-(7-aminoheptyl)thiohydroxylamine;ethane?
The InChIKey is ABBBAXOOCVEVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2S.C2H6/c8-6-4-2-1-3-5-7-9-10;1-2/h9-10H,1-8H2;1-2H3.
What are the key properties of N-(7-aminoheptyl)thiohydroxylamine;ethane?
N-(7-aminoheptyl)thiohydroxylamine;ethane has a molecular weight of 192.37 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-aminoheptyl)thiohydroxylamine;ethane is sourced from PubChem (CID 176551863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).