ethene;9-methylheptadecane;N-methyl-8-methylidene-N-octyloctadecan-1-amine

C48H99N — CID 142431893

IUPACethene;9-methylheptadecane;N-methyl-8-methylidene-N-octyloctadecan-1-amine
SMILESC=C.C=C(CCCCCCCCCC)CCCCCCCN(C)CCCCCCCC.CCCCCCCCC(C)CCCCCCCC
InChIInChI=1S/C28H57N.C18H38.C2H4/c1-5-7-9-11-13-14-16-20-24-28(3)25-21-17-15-19-23-27-29(4)26-22-18-12-10-8-6-2;1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2;1-2/h3,5-27H2,1-2,4H3;18H,4-17H2,1-3H3;1-2H2
InChIKeyLZACPDKXYASMPA-UHFFFAOYSA-N
MW690.33 g/mol
LogP17.63
Rot. Bonds38

About ethene;9-methylheptadecane;N-methyl-8-methylidene-N-octyloctadecan-1-amine

ethene;9-methylheptadecane;N-methyl-8-methylidene-N-octyloctadecan-1-amine (PubChem CID 142431893) has the molecular formula C48H99N and a molecular weight of 690.33 g/mol. Its IUPAC name is ethene;9-methylheptadecane;N-methyl-8-methylidene-N-octyloctadecan-1-amine.

Molecular Properties

Compound Nameethene;9-methylheptadecane;N-methyl-8-methylidene-N-octyloctadecan-1-amine
PubChem CID142431893
Molecular FormulaC48H99N
Molecular Weight690.33 g/mol
Exact Mass689.78
IUPAC Nameethene;9-methylheptadecane;N-methyl-8-methylidene-N-octyloctadecan-1-amine
SMILESC=C.C=C(CCCCCCCCCC)CCCCCCCN(C)CCCCCCCC.CCCCCCCCC(C)CCCCCCCC
InChIInChI=1S/C28H57N.C18H38.C2H4/c1-5-7-9-11-13-14-16-20-24-28(3)25-21-17-15-19-23-27-29(4)26-22-18-12-10-8-6-2;1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2;1-2/h3,5-27H2,1-2,4H3;18H,4-17H2,1-3H3;1-2H2
InChIKeyLZACPDKXYASMPA-UHFFFAOYSA-N
XLogP17.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds38
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.33
LogP ≤ 517.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethene;9-methylheptadecane;N-methyl-8-methylidene-N-octyloctadecan-1-amine with MolForge

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Related Compounds

N-methyl-6-methylidene-N-octyloctadecan-1-amine
CID 154642833
5-methyl-9-methylidenetetradecane
CID 142037910
4-methylnonane;N-methyl-N-propylpentan-1-amine
CID 142379578
ethene;methylcyclopentadecane;N-methyl-6-methylidene-N-octyloctadecan-1-amine
CID 154642832
2,11-dimethylnonadec-1-ene
CID 123484198
N-dodecyl-N,2-dimethyldodecan-1-amine
CID 167511099
N-(3-methylbutyl)-N-(8-methyldeca-8,9-dienyl)-8-methylideneoctadecan-1-amine;9-methylheptadecane
CID 169263282
3,5-dimethyl-10-methylidenepentadecane
CID 123460821
6-methylidenedodecane
CID 21453027
(3S)-3-methyl-6-methylidenehenicosane
CID 174024311
6-methylidenetetradecane
CID 21477883
ethene;1-ethylbicyclo[2.2.2]octane;N-methyl-8-methylidene-N-octyloctadecan-1-amine
CID 168962167

Frequently Asked Questions

What is the IUPAC name of ethene;9-methylheptadecane;N-methyl-8-methylidene-N-octyloctadecan-1-amine?
The IUPAC name of ethene;9-methylheptadecane;N-methyl-8-methylidene-N-octyloctadecan-1-amine (CID 142431893) is ethene;9-methylheptadecane;N-methyl-8-methylidene-N-octyloctadecan-1-amine.
What is the SMILES notation for ethene;9-methylheptadecane;N-methyl-8-methylidene-N-octyloctadecan-1-amine?
The canonical SMILES for ethene;9-methylheptadecane;N-methyl-8-methylidene-N-octyloctadecan-1-amine is C=C.C=C(CCCCCCCCCC)CCCCCCCN(C)CCCCCCCC.CCCCCCCCC(C)CCCCCCCC.
What is the InChIKey of ethene;9-methylheptadecane;N-methyl-8-methylidene-N-octyloctadecan-1-amine?
The InChIKey is LZACPDKXYASMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57N.C18H38.C2H4/c1-5-7-9-11-13-14-16-20-24-28(3)25-21-17-15-19-23-27-29(4)26-22-18-12-10-8-6-2;1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2;1-2/h3,5-27H2,1-2,4H3;18H,4-17H2,1-3H3;1-2H2.
What are the key properties of ethene;9-methylheptadecane;N-methyl-8-methylidene-N-octyloctadecan-1-amine?
ethene;9-methylheptadecane;N-methyl-8-methylidene-N-octyloctadecan-1-amine has a molecular weight of 690.33 g/mol, XLogP of 17.63, 38 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;9-methylheptadecane;N-methyl-8-methylidene-N-octyloctadecan-1-amine is sourced from PubChem (CID 142431893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).