N,2-dimethyl-2-(2-methylpropyldisulfanyl)propan-1-amine

C9H21NS2 — CID 155022032

IUPACN,2-dimethyl-2-(2-methylpropyldisulfanyl)propan-1-amine
SMILESCNCC(C)(C)SSCC(C)C
InChIInChI=1S/C9H21NS2/c1-8(2)6-11-12-9(3,4)7-10-5/h8,10H,6-7H2,1-5H3
InChIKeySRTQUOIZYIJLMH-UHFFFAOYSA-N
MW207.41 g/mol
LogP3.02
Rot. Bonds6

About N,2-dimethyl-2-(2-methylpropyldisulfanyl)propan-1-amine

N,2-dimethyl-2-(2-methylpropyldisulfanyl)propan-1-amine (PubChem CID 155022032) has the molecular formula C9H21NS2 and a molecular weight of 207.41 g/mol. Its IUPAC name is N,2-dimethyl-2-(2-methylpropyldisulfanyl)propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-(2-methylpropyldisulfanyl)propan-1-amine
PubChem CID155022032
Molecular FormulaC9H21NS2
Molecular Weight207.41 g/mol
Exact Mass207.11
IUPAC NameN,2-dimethyl-2-(2-methylpropyldisulfanyl)propan-1-amine
SMILESCNCC(C)(C)SSCC(C)C
InChIInChI=1S/C9H21NS2/c1-8(2)6-11-12-9(3,4)7-10-5/h8,10H,6-7H2,1-5H3
InChIKeySRTQUOIZYIJLMH-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-(2-methylpropyldisulfanyl)propan-1-amine?
The IUPAC name of N,2-dimethyl-2-(2-methylpropyldisulfanyl)propan-1-amine (CID 155022032) is N,2-dimethyl-2-(2-methylpropyldisulfanyl)propan-1-amine.
What is the SMILES notation for N,2-dimethyl-2-(2-methylpropyldisulfanyl)propan-1-amine?
The canonical SMILES for N,2-dimethyl-2-(2-methylpropyldisulfanyl)propan-1-amine is CNCC(C)(C)SSCC(C)C.
What is the InChIKey of N,2-dimethyl-2-(2-methylpropyldisulfanyl)propan-1-amine?
The InChIKey is SRTQUOIZYIJLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS2/c1-8(2)6-11-12-9(3,4)7-10-5/h8,10H,6-7H2,1-5H3.
What are the key properties of N,2-dimethyl-2-(2-methylpropyldisulfanyl)propan-1-amine?
N,2-dimethyl-2-(2-methylpropyldisulfanyl)propan-1-amine has a molecular weight of 207.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-(2-methylpropyldisulfanyl)propan-1-amine is sourced from PubChem (CID 155022032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).