N-methyl-6-methylidene-N-octyloctadecan-1-amine

C28H57N — CID 154642833

IUPACN-methyl-6-methylidene-N-octyloctadecan-1-amine
SMILESC=C(CCCCCCCCCCCC)CCCCCN(C)CCCCCCCC
InChIInChI=1S/C28H57N/c1-5-7-9-11-13-14-15-16-17-20-24-28(3)25-21-19-23-27-29(4)26-22-18-12-10-8-6-2/h3,5-27H2,1-2,4H3
InChIKeyPSVPCXHIXJYOTM-UHFFFAOYSA-N
MW407.77 g/mol
LogP9.71
Rot. Bonds24

About N-methyl-6-methylidene-N-octyloctadecan-1-amine

N-methyl-6-methylidene-N-octyloctadecan-1-amine (PubChem CID 154642833) has the molecular formula C28H57N and a molecular weight of 407.77 g/mol. Its IUPAC name is N-methyl-6-methylidene-N-octyloctadecan-1-amine.

Molecular Properties

Compound NameN-methyl-6-methylidene-N-octyloctadecan-1-amine
PubChem CID154642833
Molecular FormulaC28H57N
Molecular Weight407.77 g/mol
Exact Mass407.45
IUPAC NameN-methyl-6-methylidene-N-octyloctadecan-1-amine
SMILESC=C(CCCCCCCCCCCC)CCCCCN(C)CCCCCCCC
InChIInChI=1S/C28H57N/c1-5-7-9-11-13-14-15-16-17-20-24-28(3)25-21-19-23-27-29(4)26-22-18-12-10-8-6-2/h3,5-27H2,1-2,4H3
InChIKeyPSVPCXHIXJYOTM-UHFFFAOYSA-N
XLogP9.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.77
LogP ≤ 59.71
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

ethene;9-methylheptadecane;N-methyl-8-methylidene-N-octyloctadecan-1-amine
CID 142431893
6-methylidenedodecane
CID 21453027
6-methylidenetetradecane
CID 21477883
ethene;methylcyclopentadecane;N-methyl-6-methylidene-N-octyloctadecan-1-amine
CID 154642832
19-methylideneheptatriacontane;titanium
CID 174477367
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N-hexadecyl-N-methylicosan-1-amine
CID 21242596

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-methylidene-N-octyloctadecan-1-amine?
The IUPAC name of N-methyl-6-methylidene-N-octyloctadecan-1-amine (CID 154642833) is N-methyl-6-methylidene-N-octyloctadecan-1-amine.
What is the SMILES notation for N-methyl-6-methylidene-N-octyloctadecan-1-amine?
The canonical SMILES for N-methyl-6-methylidene-N-octyloctadecan-1-amine is C=C(CCCCCCCCCCCC)CCCCCN(C)CCCCCCCC.
What is the InChIKey of N-methyl-6-methylidene-N-octyloctadecan-1-amine?
The InChIKey is PSVPCXHIXJYOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57N/c1-5-7-9-11-13-14-15-16-17-20-24-28(3)25-21-19-23-27-29(4)26-22-18-12-10-8-6-2/h3,5-27H2,1-2,4H3.
What are the key properties of N-methyl-6-methylidene-N-octyloctadecan-1-amine?
N-methyl-6-methylidene-N-octyloctadecan-1-amine has a molecular weight of 407.77 g/mol, XLogP of 9.71, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-methylidene-N-octyloctadecan-1-amine is sourced from PubChem (CID 154642833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).