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

C13H21N3 — CID 106718513

IUPAC1-[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CC2CC3CCC2C3)cn1
InChIInChI=1S/C13H21N3/c1-14-6-13-8-16(9-15-13)7-12-5-10-2-3-11(12)4-10/h8-12,14H,2-7H2,1H3
InChIKeySXVYTRUGWAZVRU-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.04
Rot. Bonds4

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

1-[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-N-methylmethanamine (PubChem CID 106718513) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-N-methylmethanamine
PubChem CID106718513
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CC2CC3CCC2C3)cn1
InChIInChI=1S/C13H21N3/c1-14-6-13-8-16(9-15-13)7-12-5-10-2-3-11(12)4-10/h8-12,14H,2-7H2,1H3
InChIKeySXVYTRUGWAZVRU-UHFFFAOYSA-N
XLogP2.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720621
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]propan-2-amine
CID 106721215
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
CID 79561238
1-[1-(2,2-difluoroethyl)imidazol-4-yl]-N-methylmethanamine
CID 106718378
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpyrazol-3-amine
CID 79552476
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-iodo-5-methylpyrazole
CID 130496682
1-[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 106718324
1-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)imidazol-4-yl]-N-methylmethanamine
CID 106718319
2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 79550435
N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-3-yl]methyl]ethanamine
CID 79561235
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(chloromethyl)pyrazole
CID 79550055
[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrazol-4-yl]methanol
CID 79549795

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-N-methylmethanamine (CID 106718513) is 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-N-methylmethanamine is CNCc1cn(CC2CC3CCC2C3)cn1.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-N-methylmethanamine?
The InChIKey is SXVYTRUGWAZVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-14-6-13-8-16(9-15-13)7-12-5-10-2-3-11(12)4-10/h8-12,14H,2-7H2,1H3.
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-N-methylmethanamine?
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-N-methylmethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 106718513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).