4-[(1S)-1-(2-amino-1H-imidazol-5-yl)ethyl]-5-ethyl-1H-imidazol-2-amine

C10H16N6 — CID 15938992

IUPAC4-[(1S)-1-(2-amino-1H-imidazol-5-yl)ethyl]-5-ethyl-1H-imidazol-2-amine
SMILESCCc1[nH]c(N)nc1[C@@H](C)c1cnc(N)[nH]1
InChIInChI=1S/C10H16N6/c1-3-6-8(16-10(12)14-6)5(2)7-4-13-9(11)15-7/h4-5H,3H2,1-2H3,(H3,11,13,15)(H3,12,14,16)/t5-/m0/s1
InChIKeyNBQOVTOGLUYOAY-YFKPBYRVSA-N
MW220.28 g/mol
LogP1.01
Rot. Bonds3

About 4-[(1S)-1-(2-amino-1H-imidazol-5-yl)ethyl]-5-ethyl-1H-imidazol-2-amine

4-[(1S)-1-(2-amino-1H-imidazol-5-yl)ethyl]-5-ethyl-1H-imidazol-2-amine (PubChem CID 15938992) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 4-[(1S)-1-(2-amino-1H-imidazol-5-yl)ethyl]-5-ethyl-1H-imidazol-2-amine.

Molecular Properties

Compound Name4-[(1S)-1-(2-amino-1H-imidazol-5-yl)ethyl]-5-ethyl-1H-imidazol-2-amine
PubChem CID15938992
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name4-[(1S)-1-(2-amino-1H-imidazol-5-yl)ethyl]-5-ethyl-1H-imidazol-2-amine
SMILESCCc1[nH]c(N)nc1[C@@H](C)c1cnc(N)[nH]1
InChIInChI=1S/C10H16N6/c1-3-6-8(16-10(12)14-6)5(2)7-4-13-9(11)15-7/h4-5H,3H2,1-2H3,(H3,11,13,15)(H3,12,14,16)/t5-/m0/s1
InChIKeyNBQOVTOGLUYOAY-YFKPBYRVSA-N
XLogP1.01
TPSA109.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-(2-amino-1H-imidazol-5-yl)ethyl]-5-ethyl-1H-imidazol-2-amine?
The IUPAC name of 4-[(1S)-1-(2-amino-1H-imidazol-5-yl)ethyl]-5-ethyl-1H-imidazol-2-amine (CID 15938992) is 4-[(1S)-1-(2-amino-1H-imidazol-5-yl)ethyl]-5-ethyl-1H-imidazol-2-amine.
What is the SMILES notation for 4-[(1S)-1-(2-amino-1H-imidazol-5-yl)ethyl]-5-ethyl-1H-imidazol-2-amine?
The canonical SMILES for 4-[(1S)-1-(2-amino-1H-imidazol-5-yl)ethyl]-5-ethyl-1H-imidazol-2-amine is CCc1[nH]c(N)nc1[C@@H](C)c1cnc(N)[nH]1.
What is the InChIKey of 4-[(1S)-1-(2-amino-1H-imidazol-5-yl)ethyl]-5-ethyl-1H-imidazol-2-amine?
The InChIKey is NBQOVTOGLUYOAY-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H16N6/c1-3-6-8(16-10(12)14-6)5(2)7-4-13-9(11)15-7/h4-5H,3H2,1-2H3,(H3,11,13,15)(H3,12,14,16)/t5-/m0/s1.
What are the key properties of 4-[(1S)-1-(2-amino-1H-imidazol-5-yl)ethyl]-5-ethyl-1H-imidazol-2-amine?
4-[(1S)-1-(2-amino-1H-imidazol-5-yl)ethyl]-5-ethyl-1H-imidazol-2-amine has a molecular weight of 220.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-(2-amino-1H-imidazol-5-yl)ethyl]-5-ethyl-1H-imidazol-2-amine is sourced from PubChem (CID 15938992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).