butane;1-(1-tert-butylsulfanylpropan-2-yl)-2-methylhydrazine;ethane;propanal

C17H42N2OS — CID 142227670

IUPACbutane;1-(1-tert-butylsulfanylpropan-2-yl)-2-methylhydrazine;ethane;propanal
SMILESCC.CCC=O.CCCC.CNNC(C)CSC(C)(C)C
InChIInChI=1S/C8H20N2S.C4H10.C3H6O.C2H6/c1-7(10-9-5)6-11-8(2,3)4;1-3-4-2;1-2-3-4;1-2/h7,9-10H,6H2,1-5H3;3-4H2,1-2H3;3H,2H2,1H3;1-2H3
InChIKeyHBENIVJRLJKSNA-UHFFFAOYSA-N
MW322.60 g/mol
LogP5.06
Rot. Bonds6

About butane;1-(1-tert-butylsulfanylpropan-2-yl)-2-methylhydrazine;ethane;propanal

butane;1-(1-tert-butylsulfanylpropan-2-yl)-2-methylhydrazine;ethane;propanal (PubChem CID 142227670) has the molecular formula C17H42N2OS and a molecular weight of 322.60 g/mol. Its IUPAC name is butane;1-(1-tert-butylsulfanylpropan-2-yl)-2-methylhydrazine;ethane;propanal.

Molecular Properties

Compound Namebutane;1-(1-tert-butylsulfanylpropan-2-yl)-2-methylhydrazine;ethane;propanal
PubChem CID142227670
Molecular FormulaC17H42N2OS
Molecular Weight322.60 g/mol
Exact Mass322.30
IUPAC Namebutane;1-(1-tert-butylsulfanylpropan-2-yl)-2-methylhydrazine;ethane;propanal
SMILESCC.CCC=O.CCCC.CNNC(C)CSC(C)(C)C
InChIInChI=1S/C8H20N2S.C4H10.C3H6O.C2H6/c1-7(10-9-5)6-11-8(2,3)4;1-3-4-2;1-2-3-4;1-2/h7,9-10H,6H2,1-5H3;3-4H2,1-2H3;3H,2H2,1H3;1-2H3
InChIKeyHBENIVJRLJKSNA-UHFFFAOYSA-N
XLogP5.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.60
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butane;1-(1-tert-butylsulfanylpropan-2-yl)-2-methylhydrazine;ethane;propanal?
The IUPAC name of butane;1-(1-tert-butylsulfanylpropan-2-yl)-2-methylhydrazine;ethane;propanal (CID 142227670) is butane;1-(1-tert-butylsulfanylpropan-2-yl)-2-methylhydrazine;ethane;propanal.
What is the SMILES notation for butane;1-(1-tert-butylsulfanylpropan-2-yl)-2-methylhydrazine;ethane;propanal?
The canonical SMILES for butane;1-(1-tert-butylsulfanylpropan-2-yl)-2-methylhydrazine;ethane;propanal is CC.CCC=O.CCCC.CNNC(C)CSC(C)(C)C.
What is the InChIKey of butane;1-(1-tert-butylsulfanylpropan-2-yl)-2-methylhydrazine;ethane;propanal?
The InChIKey is HBENIVJRLJKSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2S.C4H10.C3H6O.C2H6/c1-7(10-9-5)6-11-8(2,3)4;1-3-4-2;1-2-3-4;1-2/h7,9-10H,6H2,1-5H3;3-4H2,1-2H3;3H,2H2,1H3;1-2H3.
What are the key properties of butane;1-(1-tert-butylsulfanylpropan-2-yl)-2-methylhydrazine;ethane;propanal?
butane;1-(1-tert-butylsulfanylpropan-2-yl)-2-methylhydrazine;ethane;propanal has a molecular weight of 322.60 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-(1-tert-butylsulfanylpropan-2-yl)-2-methylhydrazine;ethane;propanal is sourced from PubChem (CID 142227670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).