8-methylidene-N-octyloctadecan-1-amine

C27H55N — CID 153397444

IUPAC8-methylidene-N-octyloctadecan-1-amine
SMILESC=C(CCCCCCCCCC)CCCCCCCNCCCCCCCC
InChIInChI=1S/C27H55N/c1-4-6-8-10-12-13-15-19-23-27(3)24-20-16-14-18-22-26-28-25-21-17-11-9-7-5-2/h28H,3-26H2,1-2H3
InChIKeyXMSLHCIRNNIJAV-UHFFFAOYSA-N
MW393.74 g/mol
LogP9.36
Rot. Bonds24

About 8-methylidene-N-octyloctadecan-1-amine

8-methylidene-N-octyloctadecan-1-amine (PubChem CID 153397444) has the molecular formula C27H55N and a molecular weight of 393.74 g/mol. Its IUPAC name is 8-methylidene-N-octyloctadecan-1-amine.

Molecular Properties

Compound Name8-methylidene-N-octyloctadecan-1-amine
PubChem CID153397444
Molecular FormulaC27H55N
Molecular Weight393.74 g/mol
Exact Mass393.43
IUPAC Name8-methylidene-N-octyloctadecan-1-amine
SMILESC=C(CCCCCCCCCC)CCCCCCCNCCCCCCCC
InChIInChI=1S/C27H55N/c1-4-6-8-10-12-13-15-19-23-27(3)24-20-16-14-18-22-26-28-25-21-17-11-9-7-5-2/h28H,3-26H2,1-2H3
InChIKeyXMSLHCIRNNIJAV-UHFFFAOYSA-N
XLogP9.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.74
LogP ≤ 59.36
H-Bond Donors ≤ 51
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

6-methylidenedodecane
CID 21453027
6-methylidenetetradecane
CID 21477883
19-methylideneheptatriacontane;titanium
CID 174477367
4-methylidenenonadecane
CID 139983203
4-methylidenetricosane
CID 139983205
5-methylidene-N-propylheptan-1-amine
CID 66039759
N-(3-methylbut-3-enyl)hexan-1-amine
CID 114472319
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571

Frequently Asked Questions

What is the IUPAC name of 8-methylidene-N-octyloctadecan-1-amine?
The IUPAC name of 8-methylidene-N-octyloctadecan-1-amine (CID 153397444) is 8-methylidene-N-octyloctadecan-1-amine.
What is the SMILES notation for 8-methylidene-N-octyloctadecan-1-amine?
The canonical SMILES for 8-methylidene-N-octyloctadecan-1-amine is C=C(CCCCCCCCCC)CCCCCCCNCCCCCCCC.
What is the InChIKey of 8-methylidene-N-octyloctadecan-1-amine?
The InChIKey is XMSLHCIRNNIJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H55N/c1-4-6-8-10-12-13-15-19-23-27(3)24-20-16-14-18-22-26-28-25-21-17-11-9-7-5-2/h28H,3-26H2,1-2H3.
What are the key properties of 8-methylidene-N-octyloctadecan-1-amine?
8-methylidene-N-octyloctadecan-1-amine has a molecular weight of 393.74 g/mol, XLogP of 9.36, 24 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylidene-N-octyloctadecan-1-amine is sourced from PubChem (CID 153397444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).