3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide

C16H26N4O — CID 119892617

IUPAC3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)Cn1ccnc1CNC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C16H26N4O/c1-10(2)9-20-6-5-18-13(20)8-19-16(21)14-11-3-4-12(7-11)15(14)17/h5-6,10-12,14-15H,3-4,7-9,17H2,1-2H3,(H,19,21)
InChIKeyPOZKETSZHMGHJI-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.53
Rot. Bonds5

About 3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119892617) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119892617
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)Cn1ccnc1CNC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C16H26N4O/c1-10(2)9-20-6-5-18-13(20)8-19-16(21)14-11-3-4-12(7-11)15(14)17/h5-6,10-12,14-15H,3-4,7-9,17H2,1-2H3,(H,19,21)
InChIKeyPOZKETSZHMGHJI-UHFFFAOYSA-N
XLogP1.53
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119892617) is 3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is CC(C)Cn1ccnc1CNC(=O)C1C2CCC(C2)C1N.
What is the InChIKey of 3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is POZKETSZHMGHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-10(2)9-20-6-5-18-13(20)8-19-16(21)14-11-3-4-12(7-11)15(14)17/h5-6,10-12,14-15H,3-4,7-9,17H2,1-2H3,(H,19,21).
What are the key properties of 3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119892617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).