N-butyl-N-(2-methylpropyl)thiohydroxylamine

C8H19NS — CID 155330596

IUPACN-butyl-N-(2-methylpropyl)thiohydroxylamine
SMILESCCCCN(S)CC(C)C
InChIInChI=1S/C8H19NS/c1-4-5-6-9(10)7-8(2)3/h8,10H,4-7H2,1-3H3
InChIKeyLNFGAKDXNVOPPN-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.59
Rot. Bonds5

About N-butyl-N-(2-methylpropyl)thiohydroxylamine

N-butyl-N-(2-methylpropyl)thiohydroxylamine (PubChem CID 155330596) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is N-butyl-N-(2-methylpropyl)thiohydroxylamine.

Molecular Properties

Compound NameN-butyl-N-(2-methylpropyl)thiohydroxylamine
PubChem CID155330596
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC NameN-butyl-N-(2-methylpropyl)thiohydroxylamine
SMILESCCCCN(S)CC(C)C
InChIInChI=1S/C8H19NS/c1-4-5-6-9(10)7-8(2)3/h8,10H,4-7H2,1-3H3
InChIKeyLNFGAKDXNVOPPN-UHFFFAOYSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 58574228
butyl(2-methylpropyl)carbamothioic S-acid
CID 88753781
1-butyl-2-ethyl-1-(2-methylpropyl)hydrazine
CID 174421930
1,1-dibutyl-2-propan-2-ylhydrazine
CID 21407863
N-hexyl-N-(2-methylpropyl)hexan-1-amine
CID 54055603
N,N-bis(2-methylpropyl)octan-1-amine
CID 3790364
N,N-bis(2-methylpropyl)dodecan-1-amine
CID 14389650
N-butyl-N,4-dimethylpentan-1-amine
CID 88539043
N,N-bis(2-methylpropyl)decan-1-amine
CID 11265686
N-heptyl-N-(2-methylpropyl)octan-1-amine
CID 6425714
methyl N-butyl-N-(2-methylpropyl)carbamate
CID 170640282
N,N-dibutyl-12-methyltridecan-1-amine
CID 139723221

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-methylpropyl)thiohydroxylamine?
The IUPAC name of N-butyl-N-(2-methylpropyl)thiohydroxylamine (CID 155330596) is N-butyl-N-(2-methylpropyl)thiohydroxylamine.
What is the SMILES notation for N-butyl-N-(2-methylpropyl)thiohydroxylamine?
The canonical SMILES for N-butyl-N-(2-methylpropyl)thiohydroxylamine is CCCCN(S)CC(C)C.
What is the InChIKey of N-butyl-N-(2-methylpropyl)thiohydroxylamine?
The InChIKey is LNFGAKDXNVOPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-4-5-6-9(10)7-8(2)3/h8,10H,4-7H2,1-3H3.
What are the key properties of N-butyl-N-(2-methylpropyl)thiohydroxylamine?
N-butyl-N-(2-methylpropyl)thiohydroxylamine has a molecular weight of 161.31 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-methylpropyl)thiohydroxylamine is sourced from PubChem (CID 155330596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).