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

C10H24N2S2 — CID 130247253

IUPACN-ethyl-N-[[ethyl(propan-2-yl)amino]disulfanyl]propan-2-amine
SMILESCCN(SSN(CC)C(C)C)C(C)C
InChIInChI=1S/C10H24N2S2/c1-7-11(9(3)4)13-14-12(8-2)10(5)6/h9-10H,7-8H2,1-6H3
InChIKeyBYFXRIBGDDGWAW-UHFFFAOYSA-N
MW236.45 g/mol
LogP3.66
Rot. Bonds7

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

N-ethyl-N-[[ethyl(propan-2-yl)amino]disulfanyl]propan-2-amine (PubChem CID 130247253) has the molecular formula C10H24N2S2 and a molecular weight of 236.45 g/mol. Its IUPAC name is N-ethyl-N-[[ethyl(propan-2-yl)amino]disulfanyl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-[[ethyl(propan-2-yl)amino]disulfanyl]propan-2-amine
PubChem CID130247253
Molecular FormulaC10H24N2S2
Molecular Weight236.45 g/mol
Exact Mass236.14
IUPAC NameN-ethyl-N-[[ethyl(propan-2-yl)amino]disulfanyl]propan-2-amine
SMILESCCN(SSN(CC)C(C)C)C(C)C
InChIInChI=1S/C10H24N2S2/c1-7-11(9(3)4)13-14-12(8-2)10(5)6/h9-10H,7-8H2,1-6H3
InChIKeyBYFXRIBGDDGWAW-UHFFFAOYSA-N
XLogP3.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.45
LogP ≤ 53.66
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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Related Compounds

N-ethyl-N-(1,2,3-13C3)propan-2-yl(1,2,3-13C3)propan-2-amine
CID 71309796
Lithium diisopropylethylamine
CID 86615685
N-ethyl-N-propan-2-ylpropan-2-amine;trihydrofluoride
CID 45108321
bis(N-ethyl-N-propan-2-ylpropan-2-amine);hydrofluoride
CID 159245549
N,N-diethylethanamine;propan-2-amine
CID 19095085
N,N-diethylethanamine;propan-2-ylphosphane
CID 88654253
lithium;N,N-diethylethanamine;hydride
CID 161206277
[propan-2-yl(propyl)amino]sulfanylmethanethiol
CID 130246845
magnesium;N-ethyl-N-propan-2-ylpropan-2-amine;dichloride
CID 174345193
sodium;N-ethyl-N-propan-2-ylpropan-2-amine;hydride
CID 159603940
N-ethyl-N-propan-2-ylhydroxylamine
CID 15055159
N-ethyl-N-fluoropropan-2-amine
CID 146312681

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[ethyl(propan-2-yl)amino]disulfanyl]propan-2-amine?
The IUPAC name of N-ethyl-N-[[ethyl(propan-2-yl)amino]disulfanyl]propan-2-amine (CID 130247253) is N-ethyl-N-[[ethyl(propan-2-yl)amino]disulfanyl]propan-2-amine.
What is the SMILES notation for N-ethyl-N-[[ethyl(propan-2-yl)amino]disulfanyl]propan-2-amine?
The canonical SMILES for N-ethyl-N-[[ethyl(propan-2-yl)amino]disulfanyl]propan-2-amine is CCN(SSN(CC)C(C)C)C(C)C.
What is the InChIKey of N-ethyl-N-[[ethyl(propan-2-yl)amino]disulfanyl]propan-2-amine?
The InChIKey is BYFXRIBGDDGWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2S2/c1-7-11(9(3)4)13-14-12(8-2)10(5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of N-ethyl-N-[[ethyl(propan-2-yl)amino]disulfanyl]propan-2-amine?
N-ethyl-N-[[ethyl(propan-2-yl)amino]disulfanyl]propan-2-amine has a molecular weight of 236.45 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[ethyl(propan-2-yl)amino]disulfanyl]propan-2-amine is sourced from PubChem (CID 130247253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).