N-[(1-decylcyclobutyl)methyl]-2-methoxyethanamine

C18H37NO — CID 65196627

IUPACN-[(1-decylcyclobutyl)methyl]-2-methoxyethanamine
SMILESCCCCCCCCCCC1(CNCCOC)CCC1
InChIInChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-12-18(13-11-14-18)17-19-15-16-20-2/h19H,3-17H2,1-2H3
InChIKeyJBOQISHYKLHVGD-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.92
Rot. Bonds14

About N-[(1-decylcyclobutyl)methyl]-2-methoxyethanamine

N-[(1-decylcyclobutyl)methyl]-2-methoxyethanamine (PubChem CID 65196627) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-[(1-decylcyclobutyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(1-decylcyclobutyl)methyl]-2-methoxyethanamine
PubChem CID65196627
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-[(1-decylcyclobutyl)methyl]-2-methoxyethanamine
SMILESCCCCCCCCCCC1(CNCCOC)CCC1
InChIInChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-12-18(13-11-14-18)17-19-15-16-20-2/h19H,3-17H2,1-2H3
InChIKeyJBOQISHYKLHVGD-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-decylcyclobutyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(1-decylcyclobutyl)methyl]-2-methoxyethanamine (CID 65196627) is N-[(1-decylcyclobutyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(1-decylcyclobutyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(1-decylcyclobutyl)methyl]-2-methoxyethanamine is CCCCCCCCCCC1(CNCCOC)CCC1.
What is the InChIKey of N-[(1-decylcyclobutyl)methyl]-2-methoxyethanamine?
The InChIKey is JBOQISHYKLHVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-12-18(13-11-14-18)17-19-15-16-20-2/h19H,3-17H2,1-2H3.
What are the key properties of N-[(1-decylcyclobutyl)methyl]-2-methoxyethanamine?
N-[(1-decylcyclobutyl)methyl]-2-methoxyethanamine has a molecular weight of 283.50 g/mol, XLogP of 4.92, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-decylcyclobutyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 65196627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).