acetylene;decane;[2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine

C52H105N3 — CID 145405543

IUPACacetylene;decane;[2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine
SMILESC#C.C=CC(C)CCCCCCCN(CCCCCCCC(C=C)CC(CCCCCCCC)CCCCCCCC)NCN.CCCCCCCCCC
InChIInChI=1S/C40H81N3.C10H22.C2H2/c1-6-10-12-14-19-26-32-40(33-27-20-15-13-11-7-2)36-39(9-4)31-25-21-17-23-29-35-43(42-37-41)34-28-22-16-18-24-30-38(5)8-3;1-3-5-7-9-10-8-6-4-2;1-2/h8-9,38-40,42H,3-4,6-7,10-37,41H2,1-2,5H3;3-10H2,1-2H3;1-2H
InChIKeyLZSLMDNMBZBDGX-UHFFFAOYSA-N
MW772.43 g/mol
LogP16.92
Rot. Bonds43

About acetylene;decane;[2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine

acetylene;decane;[2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine (PubChem CID 145405543) has the molecular formula C52H105N3 and a molecular weight of 772.43 g/mol. Its IUPAC name is acetylene;decane;[2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine.

Molecular Properties

Compound Nameacetylene;decane;[2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine
PubChem CID145405543
Molecular FormulaC52H105N3
Molecular Weight772.43 g/mol
Exact Mass771.83
IUPAC Nameacetylene;decane;[2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine
SMILESC#C.C=CC(C)CCCCCCCN(CCCCCCCC(C=C)CC(CCCCCCCC)CCCCCCCC)NCN.CCCCCCCCCC
InChIInChI=1S/C40H81N3.C10H22.C2H2/c1-6-10-12-14-19-26-32-40(33-27-20-15-13-11-7-2)36-39(9-4)31-25-21-17-23-29-35-43(42-37-41)34-28-22-16-18-24-30-38(5)8-3;1-3-5-7-9-10-8-6-4-2;1-2/h8-9,38-40,42H,3-4,6-7,10-37,41H2,1-2,5H3;3-10H2,1-2H3;1-2H
InChIKeyLZSLMDNMBZBDGX-UHFFFAOYSA-N
XLogP16.92
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds43
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.43
LogP ≤ 516.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

decane;ethane;9-methylheptadecane;N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine
CID 145405639
Ethene;2-methyl-1-(13-methyltricosyl)-1-undec-10-enylhydrazine;3-methyltridecane
CID 156876100
1-(24-Butyl-23-methylidenetriacontan-12-yl)-1,2-dimethylhydrazine;dec-1-ene;ethane;5-ethenyl-3-methylundecane
CID 157042582
1,2-Dimethyl-1-nonylhydrazine;9-ethenylpentacosane;7-prop-2-enyltridecane
CID 166471502
1-[(Z)-11-butylheptadec-7-enyl]-1-(9-hexyl-8-methylidenepentadecyl)-2-methylhydrazine
CID 169955320
[2-(8-Ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine
CID 145405544
N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine
CID 145405640
2-Methyl-1-(13-methyltricosyl)-1-undec-10-enylhydrazine
CID 156876101

Frequently Asked Questions

What is the IUPAC name of acetylene;decane;[2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine?
The IUPAC name of acetylene;decane;[2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine (CID 145405543) is acetylene;decane;[2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine.
What is the SMILES notation for acetylene;decane;[2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine?
The canonical SMILES for acetylene;decane;[2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine is C#C.C=CC(C)CCCCCCCN(CCCCCCCC(C=C)CC(CCCCCCCC)CCCCCCCC)NCN.CCCCCCCCCC.
What is the InChIKey of acetylene;decane;[2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine?
The InChIKey is LZSLMDNMBZBDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H81N3.C10H22.C2H2/c1-6-10-12-14-19-26-32-40(33-27-20-15-13-11-7-2)36-39(9-4)31-25-21-17-23-29-35-43(42-37-41)34-28-22-16-18-24-30-38(5)8-3;1-3-5-7-9-10-8-6-4-2;1-2/h8-9,38-40,42H,3-4,6-7,10-37,41H2,1-2,5H3;3-10H2,1-2H3;1-2H.
What are the key properties of acetylene;decane;[2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine?
acetylene;decane;[2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine has a molecular weight of 772.43 g/mol, XLogP of 16.92, 43 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;decane;[2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine is sourced from PubChem (CID 145405543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).