2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylimidazol-2-yl)ethanamine

C13H21N3 — CID 112727149

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1C(N)CC1CC2CCC1C2
InChIInChI=1S/C13H21N3/c1-16-5-4-15-13(16)12(14)8-11-7-9-2-3-10(11)6-9/h4-5,9-12H,2-3,6-8,14H2,1H3
InChIKeySRGPPWBKLOYLME-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.25
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylimidazol-2-yl)ethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylimidazol-2-yl)ethanamine (PubChem CID 112727149) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylimidazol-2-yl)ethanamine
PubChem CID112727149
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1C(N)CC1CC2CCC1C2
InChIInChI=1S/C13H21N3/c1-16-5-4-15-13(16)12(14)8-11-7-9-2-3-10(11)6-9/h4-5,9-12H,2-3,6-8,14H2,1H3
InChIKeySRGPPWBKLOYLME-UHFFFAOYSA-N
XLogP2.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755618
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxypyrazin-2-yl)ethanamine
CID 105032228
2-(2-bicyclo[2.2.1]heptanyl)-1-pyridazin-4-ylethanamine
CID 105167884
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethanamine
CID 115808203
[1-(2-bicyclo[2.2.1]heptanyl)-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine
CID 105323310
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43104194
2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-1-ylethanamine
CID 79561076
2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 42924349
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 98614201
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanamine
CID 105041938
4-[1-amino-2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N,N-dimethylaniline
CID 105167951
1-(2-bicyclo[2.2.1]heptanyl)-3-(1,3-thiazol-2-yl)propan-2-amine
CID 105015334

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylimidazol-2-yl)ethanamine (CID 112727149) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylimidazol-2-yl)ethanamine is Cn1ccnc1C(N)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is SRGPPWBKLOYLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-16-5-4-15-13(16)12(14)8-11-7-9-2-3-10(11)6-9/h4-5,9-12H,2-3,6-8,14H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylimidazol-2-yl)ethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 112727149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).