(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-cyclohexylethanamine

C15H21BrN4 — CID 81387509

IUPAC(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-cyclohexylethanamine
SMILESC[C@H](NCc1cnc2cnc(Br)cn12)C1CCCCC1
InChIInChI=1S/C15H21BrN4/c1-11(12-5-3-2-4-6-12)17-7-13-8-19-15-9-18-14(16)10-20(13)15/h8-12,17H,2-7H2,1H3/t11-/m0/s1
InChIKeyCNVRTUKOSBRYNY-NSHDSACASA-N
MW337.27 g/mol
LogP3.55
Rot. Bonds4

About (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-cyclohexylethanamine

(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-cyclohexylethanamine (PubChem CID 81387509) has the molecular formula C15H21BrN4 and a molecular weight of 337.27 g/mol. Its IUPAC name is (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-cyclohexylethanamine.

Molecular Properties

Compound Name(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-cyclohexylethanamine
PubChem CID81387509
Molecular FormulaC15H21BrN4
Molecular Weight337.27 g/mol
Exact Mass336.09
IUPAC Name(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-cyclohexylethanamine
SMILESC[C@H](NCc1cnc2cnc(Br)cn12)C1CCCCC1
InChIInChI=1S/C15H21BrN4/c1-11(12-5-3-2-4-6-12)17-7-13-8-19-15-9-18-14(16)10-20(13)15/h8-12,17H,2-7H2,1H3/t11-/m0/s1
InChIKeyCNVRTUKOSBRYNY-NSHDSACASA-N
XLogP3.55
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]cyclooctanamine
CID 79175819
3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]butan-1-ol
CID 83176314
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3-methylcyclohexan-1-amine
CID 79176874
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83009339
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 79166683
2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
CID 79166678
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 79164568
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 79165899
[2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclohexyl]methanol
CID 106359611
(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 81407048
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,2-dimethyloxan-4-amine
CID 83033299
(1S)-1-cyclohexyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine
CID 81387906

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-cyclohexylethanamine?
The IUPAC name of (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-cyclohexylethanamine (CID 81387509) is (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-cyclohexylethanamine.
What is the SMILES notation for (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-cyclohexylethanamine?
The canonical SMILES for (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-cyclohexylethanamine is C[C@H](NCc1cnc2cnc(Br)cn12)C1CCCCC1.
What is the InChIKey of (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-cyclohexylethanamine?
The InChIKey is CNVRTUKOSBRYNY-NSHDSACASA-N. The full InChI is InChI=1S/C15H21BrN4/c1-11(12-5-3-2-4-6-12)17-7-13-8-19-15-9-18-14(16)10-20(13)15/h8-12,17H,2-7H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-cyclohexylethanamine?
(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-cyclohexylethanamine has a molecular weight of 337.27 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-cyclohexylethanamine is sourced from PubChem (CID 81387509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).