1-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine

C15H23N3 — CID 43649875

IUPAC1-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine
SMILESCC(N)c1ncc(C23CC4CC(CC(C4)C2)C3)[nH]1
InChIInChI=1S/C15H23N3/c1-9(16)14-17-8-13(18-14)15-5-10-2-11(6-15)4-12(3-10)7-15/h8-12H,2-7,16H2,1H3,(H,17,18)
InChIKeyWCCKWUXBVOBYNI-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.90
Rot. Bonds2

About 1-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine

1-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine (PubChem CID 43649875) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine
PubChem CID43649875
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine
SMILESCC(N)c1ncc(C23CC4CC(CC(C4)C2)C3)[nH]1
InChIInChI=1S/C15H23N3/c1-9(16)14-17-8-13(18-14)15-5-10-2-11(6-15)4-12(3-10)7-15/h8-12H,2-7,16H2,1H3,(H,17,18)
InChIKeyWCCKWUXBVOBYNI-UHFFFAOYSA-N
XLogP2.90
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(6-Cyclohexyl-hex-3-ynyl)-1H-imidazole
CID 10220233
4-[3-(1h-Imidazol-4-yl)propyl]piperidine
CID 10330240
4-(cyclohexylmethyl)-1H-imidazole
CID 9793921
4-[2-(1H-Imidazol-4-yl)ethyl]piperidine
CID 10176370
4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine
CID 11210869
5-(1-adamantyl)-2-methyl-1H-imidazole
CID 3116427
N-Cyclohexylmethyl-N''-[3-(1H-imidazol-4-yl)-propyl]-guanidine
CID 10332982
3-[3-(1H-imidazol-5-yl)propyl]piperidine
CID 11159854
1-cyclohexyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine
CID 11166138
3-[2-(1H-imidazol-5-yl)ethyl]piperidine
CID 11171320
4-(2-(1H-Imidazol-4-yl)ethyl)-1-ethylpiperidine
CID 11337639
1-cyclohexyl-4-(1H-imidazol-5-ylmethyl)piperidine
CID 11395725

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine (CID 43649875) is 1-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine is CC(N)c1ncc(C23CC4CC(CC(C4)C2)C3)[nH]1.
What is the InChIKey of 1-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine?
The InChIKey is WCCKWUXBVOBYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-9(16)14-17-8-13(18-14)15-5-10-2-11(6-15)4-12(3-10)7-15/h8-12H,2-7,16H2,1H3,(H,17,18).
What are the key properties of 1-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine?
1-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine has a molecular weight of 245.37 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-adamantyl)-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 43649875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).