ethene;N-hexadecyl-2-methylidene-N-octylpyrrolidin-1-amine;9-methylheptadecane;propane

C52H108N2 — CID 142378839

IUPACethene;N-hexadecyl-2-methylidene-N-octylpyrrolidin-1-amine;9-methylheptadecane;propane
SMILESC=C.C=C1CCCN1N(CCCCCCCC)CCCCCCCCCCCCCCCC.CCC.CCCCCCCCC(C)CCCCCCCC
InChIInChI=1S/C29H58N2.C18H38.C3H8.C2H4/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-23-27-30(31-28-24-25-29(31)3)26-22-20-11-9-7-5-2;1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2;1-3-2;1-2/h3-28H2,1-2H3;18H,4-17H2,1-3H3;3H2,1-2H3;1-2H2
InChIKeyKBUMYXLFOKNNAH-UHFFFAOYSA-N
MW761.45 g/mol
LogP19.00
Rot. Bonds37

About ethene;N-hexadecyl-2-methylidene-N-octylpyrrolidin-1-amine;9-methylheptadecane;propane

ethene;N-hexadecyl-2-methylidene-N-octylpyrrolidin-1-amine;9-methylheptadecane;propane (PubChem CID 142378839) has the molecular formula C52H108N2 and a molecular weight of 761.45 g/mol. Its IUPAC name is ethene;N-hexadecyl-2-methylidene-N-octylpyrrolidin-1-amine;9-methylheptadecane;propane.

Molecular Properties

Compound Nameethene;N-hexadecyl-2-methylidene-N-octylpyrrolidin-1-amine;9-methylheptadecane;propane
PubChem CID142378839
Molecular FormulaC52H108N2
Molecular Weight761.45 g/mol
Exact Mass760.85
IUPAC Nameethene;N-hexadecyl-2-methylidene-N-octylpyrrolidin-1-amine;9-methylheptadecane;propane
SMILESC=C.C=C1CCCN1N(CCCCCCCC)CCCCCCCCCCCCCCCC.CCC.CCCCCCCCC(C)CCCCCCCC
InChIInChI=1S/C29H58N2.C18H38.C3H8.C2H4/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-23-27-30(31-28-24-25-29(31)3)26-22-20-11-9-7-5-2;1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2;1-3-2;1-2/h3-28H2,1-2H3;18H,4-17H2,1-3H3;3H2,1-2H3;1-2H2
InChIKeyKBUMYXLFOKNNAH-UHFFFAOYSA-N
XLogP19.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds37
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.45
LogP ≤ 519.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Dodec-1-ene;ethene;1-methyl-2,2-dioctyl-1-prop-1-en-2-ylhydrazine;9-methylheptadecane
CID 142497779
(3S,4S,5R)-5-ethyl-N,3-dimethyl-7-[(2S)-2-[(3R,4S)-4-methylhex-5-en-3-yl]pyrrolidin-1-yl]-N-(4-methylpent-1-en-2-yl)oct-7-en-4-amine
CID 146647174
1-(7-Methyl-6-methylideneoct-1-en-2-yl)-4-(2-methylpropyl)-2-propylpyrrolidine
CID 155322221
1-Dec-1-en-2-yl-1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-2,2-dimethylhydrazine
CID 155358460
1-(21-Hexyl-19-methylideneheptacosan-10-yl)-2,2-dimethyl-1-non-1-en-2-ylhydrazine
CID 155485635
nonane;N-(7-octylheptadecyl)-N-pentylpyrrolidin-1-amine;prop-1-ene
CID 166471509
N-(5-methylundec-1-en-2-yl)-N-tetradecyltetradecan-1-amine
CID 166871042
1-But-1-en-2-yl-2-(3-methylbutyl)-4-(2-methylpropyl)pyrrolidine
CID 166897478
2,5-Dimethylidene-1-(7-methyl-6-methylideneoctyl)-3-propan-2-ylpyrrolidine
CID 167292064
1-Dec-1-en-2-yl-1-(5,25-dibutyl-8,22-dimethylidenehentriacontan-15-yl)-2,2-dimethylhydrazine
CID 169644075
1-(22-Butyl-19-methylideneoctacosan-10-yl)-1-dec-1-en-2-yl-2,2-dimethylhydrazine
CID 169874650
2-Methylidene-4-octyl-1-propan-2-ylpyrrolidine
CID 170187504

Frequently Asked Questions

What is the IUPAC name of ethene;N-hexadecyl-2-methylidene-N-octylpyrrolidin-1-amine;9-methylheptadecane;propane?
The IUPAC name of ethene;N-hexadecyl-2-methylidene-N-octylpyrrolidin-1-amine;9-methylheptadecane;propane (CID 142378839) is ethene;N-hexadecyl-2-methylidene-N-octylpyrrolidin-1-amine;9-methylheptadecane;propane.
What is the SMILES notation for ethene;N-hexadecyl-2-methylidene-N-octylpyrrolidin-1-amine;9-methylheptadecane;propane?
The canonical SMILES for ethene;N-hexadecyl-2-methylidene-N-octylpyrrolidin-1-amine;9-methylheptadecane;propane is C=C.C=C1CCCN1N(CCCCCCCC)CCCCCCCCCCCCCCCC.CCC.CCCCCCCCC(C)CCCCCCCC.
What is the InChIKey of ethene;N-hexadecyl-2-methylidene-N-octylpyrrolidin-1-amine;9-methylheptadecane;propane?
The InChIKey is KBUMYXLFOKNNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H58N2.C18H38.C3H8.C2H4/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-23-27-30(31-28-24-25-29(31)3)26-22-20-11-9-7-5-2;1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2;1-3-2;1-2/h3-28H2,1-2H3;18H,4-17H2,1-3H3;3H2,1-2H3;1-2H2.
What are the key properties of ethene;N-hexadecyl-2-methylidene-N-octylpyrrolidin-1-amine;9-methylheptadecane;propane?
ethene;N-hexadecyl-2-methylidene-N-octylpyrrolidin-1-amine;9-methylheptadecane;propane has a molecular weight of 761.45 g/mol, XLogP of 19.00, 37 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;N-hexadecyl-2-methylidene-N-octylpyrrolidin-1-amine;9-methylheptadecane;propane is sourced from PubChem (CID 142378839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).