N-methyl-5-[[(4S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine

C19H30N6 — CID 124944029

IUPACN-methyl-5-[[(4S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
SMILESCNc1cnc(C[C@H]2CCCN(Cc3nccn3C(C)C)CC2)cn1
InChIInChI=1S/C19H30N6/c1-15(2)25-10-7-21-19(25)14-24-8-4-5-16(6-9-24)11-17-12-23-18(20-3)13-22-17/h7,10,12-13,15-16H,4-6,8-9,11,14H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeyBGXXCFGLPBAYSS-INIZCTEOSA-N
MW342.49 g/mol
LogP3.14
Rot. Bonds6

About N-methyl-5-[[(4S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine

N-methyl-5-[[(4S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine (PubChem CID 124944029) has the molecular formula C19H30N6 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-methyl-5-[[(4S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[[(4S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
PubChem CID124944029
Molecular FormulaC19H30N6
Molecular Weight342.49 g/mol
Exact Mass342.25
IUPAC NameN-methyl-5-[[(4S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
SMILESCNc1cnc(C[C@H]2CCCN(Cc3nccn3C(C)C)CC2)cn1
InChIInChI=1S/C19H30N6/c1-15(2)25-10-7-21-19(25)14-24-8-4-5-16(6-9-24)11-17-12-23-18(20-3)13-22-17/h7,10,12-13,15-16H,4-6,8-9,11,14H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeyBGXXCFGLPBAYSS-INIZCTEOSA-N
XLogP3.14
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-5-[[(4S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine with MolForge

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Related Compounds

N-methyl-5-[[(4R)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
CID 124994699
N-methyl-5-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
CID 110112709
N-methyl-5-[[(4R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
CID 124998331
N-methyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine
CID 103056523
N-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]pyrazin-2-amine
CID 103056527
2-(2-ethylimidazol-1-yl)-1-[(4S)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]ethanone
CID 124977233
N-methyl-5-[(4-propylpiperidin-1-yl)methyl]pyrazin-2-amine
CID 103056267
N-methyl-5-[[(4R)-1-propylsulfonylazepan-4-yl]methyl]pyrazin-2-amine
CID 124998489
5-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-methylpyrazin-2-amine
CID 106588865
[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 124978300
1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-N-methylmethanamine;dihydrochloride
CID 119922574
[(4S)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 124952207

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[(4S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine?
The IUPAC name of N-methyl-5-[[(4S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine (CID 124944029) is N-methyl-5-[[(4S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for N-methyl-5-[[(4S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine?
The canonical SMILES for N-methyl-5-[[(4S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine is CNc1cnc(C[C@H]2CCCN(Cc3nccn3C(C)C)CC2)cn1.
What is the InChIKey of N-methyl-5-[[(4S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine?
The InChIKey is BGXXCFGLPBAYSS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30N6/c1-15(2)25-10-7-21-19(25)14-24-8-4-5-16(6-9-24)11-17-12-23-18(20-3)13-22-17/h7,10,12-13,15-16H,4-6,8-9,11,14H2,1-3H3,(H,20,23)/t16-/m0/s1.
What are the key properties of N-methyl-5-[[(4S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine?
N-methyl-5-[[(4S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine has a molecular weight of 342.49 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[(4S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 124944029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).