N-[[di(propan-2-yl)amino]disulfanyl]-N-ethylpropan-2-amine

C11H26N2S2 — CID 59444441

IUPACN-[[di(propan-2-yl)amino]disulfanyl]-N-ethylpropan-2-amine
SMILESCCN(SSN(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C11H26N2S2/c1-8-12(9(2)3)14-15-13(10(4)5)11(6)7/h9-11H,8H2,1-7H3
InChIKeyQVUNRAAGYJFAER-UHFFFAOYSA-N
MW250.48 g/mol
LogP4.05
Rot. Bonds7

About N-[[di(propan-2-yl)amino]disulfanyl]-N-ethylpropan-2-amine

N-[[di(propan-2-yl)amino]disulfanyl]-N-ethylpropan-2-amine (PubChem CID 59444441) has the molecular formula C11H26N2S2 and a molecular weight of 250.48 g/mol. Its IUPAC name is N-[[di(propan-2-yl)amino]disulfanyl]-N-ethylpropan-2-amine.

Molecular Properties

Compound NameN-[[di(propan-2-yl)amino]disulfanyl]-N-ethylpropan-2-amine
PubChem CID59444441
Molecular FormulaC11H26N2S2
Molecular Weight250.48 g/mol
Exact Mass250.15
IUPAC NameN-[[di(propan-2-yl)amino]disulfanyl]-N-ethylpropan-2-amine
SMILESCCN(SSN(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C11H26N2S2/c1-8-12(9(2)3)14-15-13(10(4)5)11(6)7/h9-11H,8H2,1-7H3
InChIKeyQVUNRAAGYJFAER-UHFFFAOYSA-N
XLogP4.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.48
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[di(propan-2-yl)amino]disulfanyl]-N-ethylpropan-2-amine?
The IUPAC name of N-[[di(propan-2-yl)amino]disulfanyl]-N-ethylpropan-2-amine (CID 59444441) is N-[[di(propan-2-yl)amino]disulfanyl]-N-ethylpropan-2-amine.
What is the SMILES notation for N-[[di(propan-2-yl)amino]disulfanyl]-N-ethylpropan-2-amine?
The canonical SMILES for N-[[di(propan-2-yl)amino]disulfanyl]-N-ethylpropan-2-amine is CCN(SSN(C(C)C)C(C)C)C(C)C.
What is the InChIKey of N-[[di(propan-2-yl)amino]disulfanyl]-N-ethylpropan-2-amine?
The InChIKey is QVUNRAAGYJFAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2S2/c1-8-12(9(2)3)14-15-13(10(4)5)11(6)7/h9-11H,8H2,1-7H3.
What are the key properties of N-[[di(propan-2-yl)amino]disulfanyl]-N-ethylpropan-2-amine?
N-[[di(propan-2-yl)amino]disulfanyl]-N-ethylpropan-2-amine has a molecular weight of 250.48 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[di(propan-2-yl)amino]disulfanyl]-N-ethylpropan-2-amine is sourced from PubChem (CID 59444441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).