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

C40H81N3 — CID 145405544

IUPAC[2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine
SMILESC=CC(C)CCCCCCCN(CCCCCCCC(C=C)CC(CCCCCCCC)CCCCCCCC)NCN
InChIInChI=1S/C40H81N3/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/h8-9,38-40,42H,3-4,6-7,10-37,41H2,1-2,5H3
InChIKeyRTDOPCOCQITLBK-UHFFFAOYSA-N
MW604.11 g/mol
LogP12.52
Rot. Bonds36

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

[2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine (PubChem CID 145405544) has the molecular formula C40H81N3 and a molecular weight of 604.11 g/mol. Its IUPAC name is [2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine.

Molecular Properties

Compound Name[2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine
PubChem CID145405544
Molecular FormulaC40H81N3
Molecular Weight604.11 g/mol
Exact Mass603.64
IUPAC Name[2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine
SMILESC=CC(C)CCCCCCCN(CCCCCCCC(C=C)CC(CCCCCCCC)CCCCCCCC)NCN
InChIInChI=1S/C40H81N3/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/h8-9,38-40,42H,3-4,6-7,10-37,41H2,1-2,5H3
InChIKeyRTDOPCOCQITLBK-UHFFFAOYSA-N
XLogP12.52
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds36
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.11
LogP ≤ 512.52
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'}

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Related Compounds

(5Z)-1,2-diazabicyclo[8.8.8]hexacos-5-ene
CID 141220113
1-Dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine;ethene;7-prop-2-enyltridecane
CID 142475689
Acetylene;decane;[2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine
CID 145405543
decane;ethane;9-methylheptadecane;N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine
CID 145405639
1,2-Diazabicyclo[8.8.8]hexacos-5-ene
CID 154118705
1-[(E)-8,28-dimethyltritriacont-5-en-17-yl]-1-ethyl-2-methylhydrazine
CID 155485573
1-[(2S)-3-ethenyl-6-methylnonan-2-yl]-2-methyl-1-prop-1-en-2-ylhydrazine
CID 156036004
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
ethene;2-methyl-1,1-bis[(E)-6,10,14,18-tetramethyl-2-methylidenenonadec-5-enyl]hydrazine
CID 166471511
1-[(Z)-11-butylheptadec-7-enyl]-1-(9-hexyl-8-methylidenepentadecyl)-2-methylhydrazine
CID 169955320

Frequently Asked Questions

What is the IUPAC name of [2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine?
The IUPAC name of [2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine (CID 145405544) is [2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine.
What is the SMILES notation for [2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine?
The canonical SMILES for [2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine is C=CC(C)CCCCCCCN(CCCCCCCC(C=C)CC(CCCCCCCC)CCCCCCCC)NCN.
What is the InChIKey of [2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine?
The InChIKey is RTDOPCOCQITLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H81N3/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/h8-9,38-40,42H,3-4,6-7,10-37,41H2,1-2,5H3.
What are the key properties of [2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine?
[2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine has a molecular weight of 604.11 g/mol, XLogP of 12.52, 36 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine is sourced from PubChem (CID 145405544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).