N-methylmethanamine;octadecane

C20H45N — CID 18446151

IUPACN-methylmethanamine;octadecane
SMILESCCCCCCCCCCCCCCCCCC.CNC
InChIInChI=1S/C18H38.C2H7N/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-3-2/h3-18H2,1-2H3;3H,1-2H3
InChIKeyXWRKNVKKADPRAH-UHFFFAOYSA-N
MW299.59 g/mol
LogP7.10
Rot. Bonds15

About N-methylmethanamine;octadecane

N-methylmethanamine;octadecane (PubChem CID 18446151) has the molecular formula C20H45N and a molecular weight of 299.59 g/mol. Its IUPAC name is N-methylmethanamine;octadecane.

Molecular Properties

Compound NameN-methylmethanamine;octadecane
PubChem CID18446151
Molecular FormulaC20H45N
Molecular Weight299.59 g/mol
Exact Mass299.36
IUPAC NameN-methylmethanamine;octadecane
SMILESCCCCCCCCCCCCCCCCCC.CNC
InChIInChI=1S/C18H38.C2H7N/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-3-2/h3-18H2,1-2H3;3H,1-2H3
InChIKeyXWRKNVKKADPRAH-UHFFFAOYSA-N
XLogP7.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.59
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hexadecane;N-methylmethanamine;hydrobromide
CID 174351414
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
dohexacontane
CID 522644
heptahectane
CID 123338944

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;octadecane?
The IUPAC name of N-methylmethanamine;octadecane (CID 18446151) is N-methylmethanamine;octadecane.
What is the SMILES notation for N-methylmethanamine;octadecane?
The canonical SMILES for N-methylmethanamine;octadecane is CCCCCCCCCCCCCCCCCC.CNC.
What is the InChIKey of N-methylmethanamine;octadecane?
The InChIKey is XWRKNVKKADPRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38.C2H7N/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-3-2/h3-18H2,1-2H3;3H,1-2H3.
What are the key properties of N-methylmethanamine;octadecane?
N-methylmethanamine;octadecane has a molecular weight of 299.59 g/mol, XLogP of 7.10, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;octadecane is sourced from PubChem (CID 18446151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).