(1R)-1-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethanamine

C8H15N3 — CID 93255324

IUPAC(1R)-1-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethanamine
SMILESCCc1nc([C@@H](C)N)[nH]c1C
InChIInChI=1S/C8H15N3/c1-4-7-6(3)10-8(11-7)5(2)9/h5H,4,9H2,1-3H3,(H,10,11)/t5-/m1/s1
InChIKeyVPRXKLVURYTXMR-RXMQYKEDSA-N
MW153.23 g/mol
LogP1.30
Rot. Bonds2

About (1R)-1-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethanamine

(1R)-1-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethanamine (PubChem CID 93255324) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (1R)-1-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethanamine
PubChem CID93255324
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(1R)-1-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethanamine
SMILESCCc1nc([C@@H](C)N)[nH]c1C
InChIInChI=1S/C8H15N3/c1-4-7-6(3)10-8(11-7)5(2)9/h5H,4,9H2,1-3H3,(H,10,11)/t5-/m1/s1
InChIKeyVPRXKLVURYTXMR-RXMQYKEDSA-N
XLogP1.30
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethanamine?
The IUPAC name of (1R)-1-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethanamine (CID 93255324) is (1R)-1-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethanamine.
What is the SMILES notation for (1R)-1-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethanamine?
The canonical SMILES for (1R)-1-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethanamine is CCc1nc([C@@H](C)N)[nH]c1C.
What is the InChIKey of (1R)-1-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethanamine?
The InChIKey is VPRXKLVURYTXMR-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H15N3/c1-4-7-6(3)10-8(11-7)5(2)9/h5H,4,9H2,1-3H3,(H,10,11)/t5-/m1/s1.
What are the key properties of (1R)-1-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethanamine?
(1R)-1-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethanamine has a molecular weight of 153.23 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethanamine is sourced from PubChem (CID 93255324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).