N-(2-methylbutan-2-yl)-N-propylthiohydroxylamine

C8H19NS — CID 87241132

IUPACN-(2-methylbutan-2-yl)-N-propylthiohydroxylamine
SMILESCCCN(S)C(C)(C)CC
InChIInChI=1S/C8H19NS/c1-5-7-9(10)8(3,4)6-2/h10H,5-7H2,1-4H3
InChIKeyVKUXYEDNKFZPRF-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.73
Rot. Bonds4

About N-(2-methylbutan-2-yl)-N-propylthiohydroxylamine

N-(2-methylbutan-2-yl)-N-propylthiohydroxylamine (PubChem CID 87241132) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-N-propylthiohydroxylamine.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-N-propylthiohydroxylamine
PubChem CID87241132
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC NameN-(2-methylbutan-2-yl)-N-propylthiohydroxylamine
SMILESCCCN(S)C(C)(C)CC
InChIInChI=1S/C8H19NS/c1-5-7-9(10)8(3,4)6-2/h10H,5-7H2,1-4H3
InChIKeyVKUXYEDNKFZPRF-UHFFFAOYSA-N
XLogP2.73
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.73
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-2-methyl-N-(2-methylbutan-2-yl)butan-2-amine
CID 139723099
tris(N,N-dipropylthiohydroxylamine);trihydrofluoride
CID 173050625
CID 101012974
CID 101012974
N-methyl-N-(2-methylbutan-2-yl)hexan-1-amine
CID 167034677
1-tert-butyl-2-methyl-1-(2-methylbutan-2-yl)hydrazine
CID 167186133
4-[2-methylbutan-2-yl(propyl)amino]butanal
CID 156731914
azane;2-methyl-N,N-dipropylpropan-2-amine
CID 87497520
N-iodo-N,2-dimethylbutan-2-amine
CID 154548440
N,N',2-trimethyl-N'-(2-methylbutan-2-yl)-2-propylpropane-1,3-diamine
CID 63967395
N,2,2-trimethyl-N-propylbutan-1-amine
CID 58772817
1-N,2-dimethyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine
CID 63960051
3,3-dimethylpentane;N,N-dipropylpropan-1-amine;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine
CID 54182914

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-N-propylthiohydroxylamine?
The IUPAC name of N-(2-methylbutan-2-yl)-N-propylthiohydroxylamine (CID 87241132) is N-(2-methylbutan-2-yl)-N-propylthiohydroxylamine.
What is the SMILES notation for N-(2-methylbutan-2-yl)-N-propylthiohydroxylamine?
The canonical SMILES for N-(2-methylbutan-2-yl)-N-propylthiohydroxylamine is CCCN(S)C(C)(C)CC.
What is the InChIKey of N-(2-methylbutan-2-yl)-N-propylthiohydroxylamine?
The InChIKey is VKUXYEDNKFZPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-5-7-9(10)8(3,4)6-2/h10H,5-7H2,1-4H3.
What are the key properties of N-(2-methylbutan-2-yl)-N-propylthiohydroxylamine?
N-(2-methylbutan-2-yl)-N-propylthiohydroxylamine has a molecular weight of 161.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-N-propylthiohydroxylamine is sourced from PubChem (CID 87241132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).