6-methylidene-N,N-dioctyloct-1-en-2-amine

C25H49N — CID 155278283

IUPAC6-methylidene-N,N-dioctyloct-1-en-2-amine
SMILESC=C(CC)CCCC(=C)N(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C25H49N/c1-6-9-11-13-15-17-22-26(23-18-16-14-12-10-7-2)25(5)21-19-20-24(4)8-3/h4-23H2,1-3H3
InChIKeyGNLSXMSISVGYLG-UHFFFAOYSA-N
MW363.67 g/mol
LogP8.66
Rot. Bonds20

About 6-methylidene-N,N-dioctyloct-1-en-2-amine

6-methylidene-N,N-dioctyloct-1-en-2-amine (PubChem CID 155278283) has the molecular formula C25H49N and a molecular weight of 363.67 g/mol. Its IUPAC name is 6-methylidene-N,N-dioctyloct-1-en-2-amine.

Molecular Properties

Compound Name6-methylidene-N,N-dioctyloct-1-en-2-amine
PubChem CID155278283
Molecular FormulaC25H49N
Molecular Weight363.67 g/mol
Exact Mass363.39
IUPAC Name6-methylidene-N,N-dioctyloct-1-en-2-amine
SMILESC=C(CC)CCCC(=C)N(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C25H49N/c1-6-9-11-13-15-17-22-26(23-18-16-14-12-10-7-2)25(5)21-19-20-24(4)8-3/h4-23H2,1-3H3
InChIKeyGNLSXMSISVGYLG-UHFFFAOYSA-N
XLogP8.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.67
LogP ≤ 58.66
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'}

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Related Compounds

3-methylidenedecane
CID 21453024
3,8-dimethylidenetetradecane
CID 173410299
9-methylidenehenicosane;11-methylidenehenicosane;9-methylidenenonadecane;3-methylidenepentadecane;7-methylidenepentadecane;3-methylidenetridecane;5-methylidenetridecane;7-methylidenetridecane;5-methylideneundecane;2-methylpentadec-1-ene;2-methyltridec-1-ene
CID 173451985
N-(2,2-dimethylpropyl)-8-methylidene-N-nonyldecan-1-amine
CID 129293558
N-methyl-6-methylidene-N-octyloctadecan-1-amine
CID 154642833
6-methylidenetetradecane
CID 21477883
6-methylidenedodecane
CID 21453027
3,8,15,20-tetramethylidenedocosane
CID 176610318
N,N-diethylhex-1-en-2-amine
CID 161216399
N,N-dimethyl-2-methylideneoctadecan-1-amine
CID 174335224
19-methylideneheptatriacontane;titanium
CID 174477367
CID 22164562
CID 22164562

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-N,N-dioctyloct-1-en-2-amine?
The IUPAC name of 6-methylidene-N,N-dioctyloct-1-en-2-amine (CID 155278283) is 6-methylidene-N,N-dioctyloct-1-en-2-amine.
What is the SMILES notation for 6-methylidene-N,N-dioctyloct-1-en-2-amine?
The canonical SMILES for 6-methylidene-N,N-dioctyloct-1-en-2-amine is C=C(CC)CCCC(=C)N(CCCCCCCC)CCCCCCCC.
What is the InChIKey of 6-methylidene-N,N-dioctyloct-1-en-2-amine?
The InChIKey is GNLSXMSISVGYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49N/c1-6-9-11-13-15-17-22-26(23-18-16-14-12-10-7-2)25(5)21-19-20-24(4)8-3/h4-23H2,1-3H3.
What are the key properties of 6-methylidene-N,N-dioctyloct-1-en-2-amine?
6-methylidene-N,N-dioctyloct-1-en-2-amine has a molecular weight of 363.67 g/mol, XLogP of 8.66, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-N,N-dioctyloct-1-en-2-amine is sourced from PubChem (CID 155278283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).