N-propan-2-yl-N-(propan-2-yldisulfanyl)propan-2-amine

C9H21NS2 — CID 21441513

IUPACN-propan-2-yl-N-(propan-2-yldisulfanyl)propan-2-amine
SMILESCC(C)SSN(C(C)C)C(C)C
InChIInChI=1S/C9H21NS2/c1-7(2)10(8(3)4)12-11-9(5)6/h7-9H,1-6H3
InChIKeyGMCSZWQWCQUYQL-UHFFFAOYSA-N
MW207.41 g/mol
LogP3.81
Rot. Bonds5

About N-propan-2-yl-N-(propan-2-yldisulfanyl)propan-2-amine

N-propan-2-yl-N-(propan-2-yldisulfanyl)propan-2-amine (PubChem CID 21441513) has the molecular formula C9H21NS2 and a molecular weight of 207.41 g/mol. Its IUPAC name is N-propan-2-yl-N-(propan-2-yldisulfanyl)propan-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-(propan-2-yldisulfanyl)propan-2-amine
PubChem CID21441513
Molecular FormulaC9H21NS2
Molecular Weight207.41 g/mol
Exact Mass207.11
IUPAC NameN-propan-2-yl-N-(propan-2-yldisulfanyl)propan-2-amine
SMILESCC(C)SSN(C(C)C)C(C)C
InChIInChI=1S/C9H21NS2/c1-7(2)10(8(3)4)12-11-9(5)6/h7-9H,1-6H3
InChIKeyGMCSZWQWCQUYQL-UHFFFAOYSA-N
XLogP3.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diisopropylaminoethanethiol
CID 111102
1-Propanesulfenamide, N,N-dipropyl-
CID 3030905
N-Ethyl-N-(propylsulfanyl)ethanamine
CID 13142419
N-butylsulfanyl-N-ethylethanamine
CID 13152232
1-[Di(propan-2-yl)amino]ethanethiol
CID 22242606
2-[Di(propan-2-yl)amino]ethanethiolate
CID 134944833
Diisopropylamino ethyl sulfide
CID 569001
2-Diisopropylaminoethyl ethyl disulfide
CID 575117
N-methylsulfanyl-N-propan-2-ylpropan-2-amine
CID 15026667
N,N-diethylpropane-2-sulfenamide
CID 14689857
Dithiolan-4-yl-diethyl-methylazanium
CID 35707
N-ethyl-N-pentylsulfanylethanamine
CID 12568362

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(propan-2-yldisulfanyl)propan-2-amine?
The IUPAC name of N-propan-2-yl-N-(propan-2-yldisulfanyl)propan-2-amine (CID 21441513) is N-propan-2-yl-N-(propan-2-yldisulfanyl)propan-2-amine.
What is the SMILES notation for N-propan-2-yl-N-(propan-2-yldisulfanyl)propan-2-amine?
The canonical SMILES for N-propan-2-yl-N-(propan-2-yldisulfanyl)propan-2-amine is CC(C)SSN(C(C)C)C(C)C.
What is the InChIKey of N-propan-2-yl-N-(propan-2-yldisulfanyl)propan-2-amine?
The InChIKey is GMCSZWQWCQUYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS2/c1-7(2)10(8(3)4)12-11-9(5)6/h7-9H,1-6H3.
What are the key properties of N-propan-2-yl-N-(propan-2-yldisulfanyl)propan-2-amine?
N-propan-2-yl-N-(propan-2-yldisulfanyl)propan-2-amine has a molecular weight of 207.41 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(propan-2-yldisulfanyl)propan-2-amine is sourced from PubChem (CID 21441513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).