1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine

C14H23N3 — CID 62747079

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
SMILESCc1[nH]cnc1CNC(C)C1CC2CCC1C2
InChIInChI=1S/C14H23N3/c1-9(13-6-11-3-4-12(13)5-11)15-7-14-10(2)16-8-17-14/h8-9,11-13,15H,3-7H2,1-2H3,(H,16,17)
InChIKeyYZCHBJJRRYOCTI-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.63
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine (PubChem CID 62747079) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
PubChem CID62747079
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
SMILESCc1[nH]cnc1CNC(C)C1CC2CCC1C2
InChIInChI=1S/C14H23N3/c1-9(13-6-11-3-4-12(13)5-11)15-7-14-10(2)16-8-17-14/h8-9,11-13,15H,3-7H2,1-2H3,(H,16,17)
InChIKeyYZCHBJJRRYOCTI-UHFFFAOYSA-N
XLogP2.63
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine (CID 62747079) is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine is Cc1[nH]cnc1CNC(C)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine?
The InChIKey is YZCHBJJRRYOCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-9(13-6-11-3-4-12(13)5-11)15-7-14-10(2)16-8-17-14/h8-9,11-13,15H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine has a molecular weight of 233.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 62747079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).