decane;ethane;9-methylheptadecane;N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine

C54H115N3 — CID 145405639

IUPACdecane;ethane;9-methylheptadecane;N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine
SMILESC=CC(C)CCCCCCCN(CCCCCCCC(C)C)NC(=C)NC.CC.CCCCCCCCC(C)CCCCCCCC.CCCCCCCCCC
InChIInChI=1S/C24H49N3.C18H38.C10H22.C2H6/c1-7-23(4)19-15-11-9-13-17-21-27(26-24(5)25-6)20-16-12-8-10-14-18-22(2)3;1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2;1-3-5-7-9-10-8-6-4-2;1-2/h7,22-23,25-26H,1,5,8-21H2,2-4,6H3;18H,4-17H2,1-3H3;3-10H2,1-2H3;1-2H3
InChIKeyXORBOBOLHGPTEZ-UHFFFAOYSA-N
MW806.53 g/mol
LogP18.94
Rot. Bonds41

About decane;ethane;9-methylheptadecane;N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine

decane;ethane;9-methylheptadecane;N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine (PubChem CID 145405639) has the molecular formula C54H115N3 and a molecular weight of 806.53 g/mol. Its IUPAC name is decane;ethane;9-methylheptadecane;N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine.

Molecular Properties

Compound Namedecane;ethane;9-methylheptadecane;N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine
PubChem CID145405639
Molecular FormulaC54H115N3
Molecular Weight806.53 g/mol
Exact Mass805.91
IUPAC Namedecane;ethane;9-methylheptadecane;N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine
SMILESC=CC(C)CCCCCCCN(CCCCCCCC(C)C)NC(=C)NC.CC.CCCCCCCCC(C)CCCCCCCC.CCCCCCCCCC
InChIInChI=1S/C24H49N3.C18H38.C10H22.C2H6/c1-7-23(4)19-15-11-9-13-17-21-27(26-24(5)25-6)20-16-12-8-10-14-18-22(2)3;1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2;1-3-5-7-9-10-8-6-4-2;1-2/h7,22-23,25-26H,1,5,8-21H2,2-4,6H3;18H,4-17H2,1-3H3;3-10H2,1-2H3;1-2H3
InChIKeyXORBOBOLHGPTEZ-UHFFFAOYSA-N
XLogP18.94
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds41
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.53
LogP ≤ 518.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-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
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
1,2-Dimethyl-1-nonylhydrazine;9-ethenylpentacosane;7-prop-2-enyltridecane
CID 166471502
[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
2-Methyl-1-nonyl-1-(3-octyldodeca-1,11-dien-2-yl)hydrazine
CID 167511061

Frequently Asked Questions

What is the IUPAC name of decane;ethane;9-methylheptadecane;N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine?
The IUPAC name of decane;ethane;9-methylheptadecane;N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine (CID 145405639) is decane;ethane;9-methylheptadecane;N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine.
What is the SMILES notation for decane;ethane;9-methylheptadecane;N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine?
The canonical SMILES for decane;ethane;9-methylheptadecane;N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine is C=CC(C)CCCCCCCN(CCCCCCCC(C)C)NC(=C)NC.CC.CCCCCCCCC(C)CCCCCCCC.CCCCCCCCCC.
What is the InChIKey of decane;ethane;9-methylheptadecane;N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine?
The InChIKey is XORBOBOLHGPTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49N3.C18H38.C10H22.C2H6/c1-7-23(4)19-15-11-9-13-17-21-27(26-24(5)25-6)20-16-12-8-10-14-18-22(2)3;1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2;1-3-5-7-9-10-8-6-4-2;1-2/h7,22-23,25-26H,1,5,8-21H2,2-4,6H3;18H,4-17H2,1-3H3;3-10H2,1-2H3;1-2H3.
What are the key properties of decane;ethane;9-methylheptadecane;N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine?
decane;ethane;9-methylheptadecane;N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine has a molecular weight of 806.53 g/mol, XLogP of 18.94, 41 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decane;ethane;9-methylheptadecane;N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine is sourced from PubChem (CID 145405639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).