N-[(1-cycloheptyl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine

C15H27N3O — CID 66442547

IUPACN-[(1-cycloheptyl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnn(C2CCCCCC2)c1C
InChIInChI=1S/C15H27N3O/c1-13-14(11-16-9-10-19-2)12-17-18(13)15-7-5-3-4-6-8-15/h12,15-16H,3-11H2,1-2H3
InChIKeyNTOPQVYZOBAAFV-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.82
Rot. Bonds6

About N-[(1-cycloheptyl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine

N-[(1-cycloheptyl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine (PubChem CID 66442547) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(1-cycloheptyl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(1-cycloheptyl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine
PubChem CID66442547
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[(1-cycloheptyl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnn(C2CCCCCC2)c1C
InChIInChI=1S/C15H27N3O/c1-13-14(11-16-9-10-19-2)12-17-18(13)15-7-5-3-4-6-8-15/h12,15-16H,3-11H2,1-2H3
InChIKeyNTOPQVYZOBAAFV-UHFFFAOYSA-N
XLogP2.82
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-cycloheptyl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(1-cycloheptyl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine (CID 66442547) is N-[(1-cycloheptyl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(1-cycloheptyl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(1-cycloheptyl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine is COCCNCc1cnn(C2CCCCCC2)c1C.
What is the InChIKey of N-[(1-cycloheptyl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine?
The InChIKey is NTOPQVYZOBAAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-13-14(11-16-9-10-19-2)12-17-18(13)15-7-5-3-4-6-8-15/h12,15-16H,3-11H2,1-2H3.
What are the key properties of N-[(1-cycloheptyl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine?
N-[(1-cycloheptyl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine has a molecular weight of 265.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cycloheptyl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 66442547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).