N-(3-aminopropylamino)-N-methylthiohydroxylamine

C4H13N3S — CID 170190484

IUPACN-(3-aminopropylamino)-N-methylthiohydroxylamine
SMILESCN(S)NCCCN
InChIInChI=1S/C4H13N3S/c1-7(8)6-4-2-3-5/h6,8H,2-5H2,1H3
InChIKeyXZSUGMMOIKOEKY-UHFFFAOYSA-N
MW135.24 g/mol
LogP-0.38
Rot. Bonds4

About N-(3-aminopropylamino)-N-methylthiohydroxylamine

N-(3-aminopropylamino)-N-methylthiohydroxylamine (PubChem CID 170190484) has the molecular formula C4H13N3S and a molecular weight of 135.24 g/mol. Its IUPAC name is N-(3-aminopropylamino)-N-methylthiohydroxylamine.

Molecular Properties

Compound NameN-(3-aminopropylamino)-N-methylthiohydroxylamine
PubChem CID170190484
Molecular FormulaC4H13N3S
Molecular Weight135.24 g/mol
Exact Mass135.08
IUPAC NameN-(3-aminopropylamino)-N-methylthiohydroxylamine
SMILESCN(S)NCCCN
InChIInChI=1S/C4H13N3S/c1-7(8)6-4-2-3-5/h6,8H,2-5H2,1H3
InChIKeyXZSUGMMOIKOEKY-UHFFFAOYSA-N
XLogP-0.38
TPSA41.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-diethylhydrazinyl)propan-1-amine
CID 55290275
N'-trimethylsilylpropane-1,3-diamine
CID 141015424
N-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine
CID 23461237
1-N-(3-aminopropyl)-1-N',1-N',1-N",1-N"-tetramethylpropane-1,1,1-triamine
CID 87177269
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
N-(7-aminoheptyl)thiohydroxylamine;ethane
CID 176551863
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine;bis(N',N'-dimethylpropane-1,3-diamine);ethane-1,2-diamine
CID 157170431
N'-[3-[3-[3-(methylamino)propylamino]propylamino]propyl]propane-1,3-diamine
CID 20647748

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropylamino)-N-methylthiohydroxylamine?
The IUPAC name of N-(3-aminopropylamino)-N-methylthiohydroxylamine (CID 170190484) is N-(3-aminopropylamino)-N-methylthiohydroxylamine.
What is the SMILES notation for N-(3-aminopropylamino)-N-methylthiohydroxylamine?
The canonical SMILES for N-(3-aminopropylamino)-N-methylthiohydroxylamine is CN(S)NCCCN.
What is the InChIKey of N-(3-aminopropylamino)-N-methylthiohydroxylamine?
The InChIKey is XZSUGMMOIKOEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3S/c1-7(8)6-4-2-3-5/h6,8H,2-5H2,1H3.
What are the key properties of N-(3-aminopropylamino)-N-methylthiohydroxylamine?
N-(3-aminopropylamino)-N-methylthiohydroxylamine has a molecular weight of 135.24 g/mol, XLogP of -0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropylamino)-N-methylthiohydroxylamine is sourced from PubChem (CID 170190484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).