1-butyl-1-methylhydrazine;ethane;ethene;10-ethenylhenicosane;10-ethylselanyldec-1-ene;7-pent-1-en-3-ylhexadecane

C71H154N2Se — CID 155570160

IUPAC1-butyl-1-methylhydrazine;ethane;ethene;10-ethenylhenicosane;10-ethylselanyldec-1-ene;7-pent-1-en-3-ylhexadecane
SMILESC=C.C=CC(CC)C(CCCCCC)CCCCCCCCC.C=CC(CCCCCCCCC)CCCCCCCCCCC.C=CCCCCCCCC[Se]CC.CC.CC.CC.CC.CCCCN(C)N
InChIInChI=1S/C23H46.C21H42.C12H24Se.C5H14N2.4C2H6.C2H4/c1-4-7-9-11-13-14-16-18-20-22-23(6-3)21-19-17-15-12-10-8-5-2;1-5-9-11-13-14-15-17-19-21(20(7-3)8-4)18-16-12-10-6-2;1-3-5-6-7-8-9-10-11-12-13-4-2;1-3-4-5-7(2)6;5*1-2/h6,23H,3-5,7-22H2,1-2H3;7,20-21H,3,5-6,8-19H2,1-2,4H3;3H,1,4-12H2,2H3;3-6H2,1-2H3;4*1-2H3;1-2H2
InChIKeyMWPIGHZIVNHAIX-UHFFFAOYSA-N
MW1114.99 g/mol
LogP26.74
Rot. Bonds48

About 1-butyl-1-methylhydrazine;ethane;ethene;10-ethenylhenicosane;10-ethylselanyldec-1-ene;7-pent-1-en-3-ylhexadecane

1-butyl-1-methylhydrazine;ethane;ethene;10-ethenylhenicosane;10-ethylselanyldec-1-ene;7-pent-1-en-3-ylhexadecane (PubChem CID 155570160) has the molecular formula C71H154N2Se and a molecular weight of 1114.99 g/mol. Its IUPAC name is 1-butyl-1-methylhydrazine;ethane;ethene;10-ethenylhenicosane;10-ethylselanyldec-1-ene;7-pent-1-en-3-ylhexadecane.

Molecular Properties

Compound Name1-butyl-1-methylhydrazine;ethane;ethene;10-ethenylhenicosane;10-ethylselanyldec-1-ene;7-pent-1-en-3-ylhexadecane
PubChem CID155570160
Molecular FormulaC71H154N2Se
Molecular Weight1114.99 g/mol
Exact Mass1115.13
IUPAC Name1-butyl-1-methylhydrazine;ethane;ethene;10-ethenylhenicosane;10-ethylselanyldec-1-ene;7-pent-1-en-3-ylhexadecane
SMILESC=C.C=CC(CC)C(CCCCCC)CCCCCCCCC.C=CC(CCCCCCCCC)CCCCCCCCCCC.C=CCCCCCCCC[Se]CC.CC.CC.CC.CC.CCCCN(C)N
InChIInChI=1S/C23H46.C21H42.C12H24Se.C5H14N2.4C2H6.C2H4/c1-4-7-9-11-13-14-16-18-20-22-23(6-3)21-19-17-15-12-10-8-5-2;1-5-9-11-13-14-15-17-19-21(20(7-3)8-4)18-16-12-10-6-2;1-3-5-6-7-8-9-10-11-12-13-4-2;1-3-4-5-7(2)6;5*1-2/h6,23H,3-5,7-22H2,1-2H3;7,20-21H,3,5-6,8-19H2,1-2,4H3;3H,1,4-12H2,2H3;3-6H2,1-2H3;4*1-2H3;1-2H2
InChIKeyMWPIGHZIVNHAIX-UHFFFAOYSA-N
XLogP26.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds48
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001114.99
LogP ≤ 526.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(6-Methylideneoctadecyl)-1-(8-methylidene-10-octyloctadecyl)hydrazine
CID 156190947
Ethene;2-methyl-1-(13-methyltricosyl)-1-undec-10-enylhydrazine;3-methyltridecane
CID 156876100
1,2-Dimethyl-1-nonylhydrazine;9-ethenylpentacosane;7-prop-2-enyltridecane
CID 166471502
2-Methyl-1-(13-methyltricosyl)-1-undec-10-enylhydrazine
CID 156876101

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-methylhydrazine;ethane;ethene;10-ethenylhenicosane;10-ethylselanyldec-1-ene;7-pent-1-en-3-ylhexadecane?
The IUPAC name of 1-butyl-1-methylhydrazine;ethane;ethene;10-ethenylhenicosane;10-ethylselanyldec-1-ene;7-pent-1-en-3-ylhexadecane (CID 155570160) is 1-butyl-1-methylhydrazine;ethane;ethene;10-ethenylhenicosane;10-ethylselanyldec-1-ene;7-pent-1-en-3-ylhexadecane.
What is the SMILES notation for 1-butyl-1-methylhydrazine;ethane;ethene;10-ethenylhenicosane;10-ethylselanyldec-1-ene;7-pent-1-en-3-ylhexadecane?
The canonical SMILES for 1-butyl-1-methylhydrazine;ethane;ethene;10-ethenylhenicosane;10-ethylselanyldec-1-ene;7-pent-1-en-3-ylhexadecane is C=C.C=CC(CC)C(CCCCCC)CCCCCCCCC.C=CC(CCCCCCCCC)CCCCCCCCCCC.C=CCCCCCCCC[Se]CC.CC.CC.CC.CC.CCCCN(C)N.
What is the InChIKey of 1-butyl-1-methylhydrazine;ethane;ethene;10-ethenylhenicosane;10-ethylselanyldec-1-ene;7-pent-1-en-3-ylhexadecane?
The InChIKey is MWPIGHZIVNHAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46.C21H42.C12H24Se.C5H14N2.4C2H6.C2H4/c1-4-7-9-11-13-14-16-18-20-22-23(6-3)21-19-17-15-12-10-8-5-2;1-5-9-11-13-14-15-17-19-21(20(7-3)8-4)18-16-12-10-6-2;1-3-5-6-7-8-9-10-11-12-13-4-2;1-3-4-5-7(2)6;5*1-2/h6,23H,3-5,7-22H2,1-2H3;7,20-21H,3,5-6,8-19H2,1-2,4H3;3H,1,4-12H2,2H3;3-6H2,1-2H3;4*1-2H3;1-2H2.
What are the key properties of 1-butyl-1-methylhydrazine;ethane;ethene;10-ethenylhenicosane;10-ethylselanyldec-1-ene;7-pent-1-en-3-ylhexadecane?
1-butyl-1-methylhydrazine;ethane;ethene;10-ethenylhenicosane;10-ethylselanyldec-1-ene;7-pent-1-en-3-ylhexadecane has a molecular weight of 1114.99 g/mol, XLogP of 26.74, 48 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-methylhydrazine;ethane;ethene;10-ethenylhenicosane;10-ethylselanyldec-1-ene;7-pent-1-en-3-ylhexadecane is sourced from PubChem (CID 155570160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).