1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazol-2-amine

C12H19N3 — CID 106557738

IUPAC1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazol-2-amine
SMILESCC(C1CC2CCC1C2)n1ccnc1N
InChIInChI=1S/C12H19N3/c1-8(15-5-4-14-12(15)13)11-7-9-2-3-10(11)6-9/h4-5,8-11H,2-3,6-7H2,1H3,(H2,13,14)
InChIKeyJSCISSZXKMNFDE-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.46
Rot. Bonds2

About 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazol-2-amine

1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazol-2-amine (PubChem CID 106557738) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazol-2-amine.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazol-2-amine
PubChem CID106557738
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazol-2-amine
SMILESCC(C1CC2CCC1C2)n1ccnc1N
InChIInChI=1S/C12H19N3/c1-8(15-5-4-14-12(15)13)11-7-9-2-3-10(11)6-9/h4-5,8-11H,2-3,6-7H2,1H3,(H2,13,14)
InChIKeyJSCISSZXKMNFDE-UHFFFAOYSA-N
XLogP2.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazol-2-yl]sulfanylacetic acid
CID 43148499
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106557775
1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethylpyrrole
CID 98294882
7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43337023
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-hydroxy-2-methylpyridin-4-one
CID 82212027
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-cyclopropylimidazol-2-amine
CID 106557764
6-amino-1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]pyrimidine-2,4-dione
CID 98243165
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106557756
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methyl-1H-imidazole-2-thione
CID 81339497
2-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazole-4-carbonitrile
CID 104718624
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
CID 63465891

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazol-2-amine?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazol-2-amine (CID 106557738) is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazol-2-amine.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazol-2-amine?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazol-2-amine is CC(C1CC2CCC1C2)n1ccnc1N.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazol-2-amine?
The InChIKey is JSCISSZXKMNFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-8(15-5-4-14-12(15)13)11-7-9-2-3-10(11)6-9/h4-5,8-11H,2-3,6-7H2,1H3,(H2,13,14).
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazol-2-amine?
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazol-2-amine has a molecular weight of 205.31 g/mol, XLogP of 2.46, 2 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]heptanyl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106557738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).