N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine

C15H25N3O — CID 106720621

IUPACN-[[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cn(CC2CC3CCC2C3)cn1
InChIInChI=1S/C15H25N3O/c1-19-5-4-16-8-15-10-18(11-17-15)9-14-7-12-2-3-13(14)6-12/h10-14,16H,2-9H2,1H3
InChIKeyKGKRHDGNSHCQEA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.06
Rot. Bonds7

About N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine

N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 106720621) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID106720621
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cn(CC2CC3CCC2C3)cn1
InChIInChI=1S/C15H25N3O/c1-19-5-4-16-8-15-10-18(11-17-15)9-14-7-12-2-3-13(14)6-12/h10-14,16H,2-9H2,1H3
InChIKeyKGKRHDGNSHCQEA-UHFFFAOYSA-N
XLogP2.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.06
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-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine (CID 106720621) is N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine is COCCNCc1cn(CC2CC3CCC2C3)cn1.
What is the InChIKey of N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is KGKRHDGNSHCQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-19-5-4-16-8-15-10-18(11-17-15)9-14-7-12-2-3-13(14)6-12/h10-14,16H,2-9H2,1H3.
What are the key properties of N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine?
N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 106720621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).